CAS 1332499-75-8 Delta2-Cefotetan - Analytical Products / Alfa Chemistry

CAT	APS1332499758
CAS	1332499-75-8
Synonyms	Δ3-Cefotetan, Δ2-Cefotetan,5-Thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid, 7-[[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, (6R,7S)-, (6R,7S)-7-[[[4-(2-Amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
IUPAC Name	(6R,7S)-7-[[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietane-2-carbonyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid
Molecular Weight	575.62
Molecular Formula	C17H17N7O8S4
Canonical SMILES	CO[C@]1(NC(=O)C2SC(=C(C(=O)N)C(=O)O)S2)[C@H]3SC=C(CSc4nnnn4C)C(N3C1=O)C(=O)O
InChI	InChI=1S/C17H17N7O8S4/c1-23-16(20-21-22-23)34-4-5-3-33-15-17(32-2,14(31)24(15)7(5)11(29)30)19-9(26)13-35-12(36-13)6(8(18)25)10(27)28/h3,7,13,15H,4H2,1-2H3,(H2,18,25)(H,19,26)(H,27,28)(H,29,30)/t7?,13?,15-,17+/m1/s1