(6S)-7-[2-[2-(2-azanyl-1-methylsulfonyl-2-oxidanylidene-ethyl)thiophen-3-yl]ethanoyloxymethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6S)-7-[2-[2-(2-azanyl-1-methylsulfonyl-2-oxidanylidene-ethyl)thiophen-3-yl]ethanoyloxymethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6S)-7-[[2-[2-(2-amino-1-methylsulfonyl-2-oxo-ethyl)-3-thienyl]acetyl]oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6S)-7-[[2-[2-(2-amino-1-methylsulfonyl-2-oxoethyl)-3-thiophenyl]-1-oxoethoxy]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6S)-7-[[2-[2-(2-amino-1-methylsulfonyl-2-oxoethyl)thiophen-3-yl]acetyl]oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6S)-7-[[2-[2-(2-amino-2-keto-1-mesyl-ethyl)-3-thienyl]acetyl]oxymethyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H18N2O8S3 MolecularWeight: 474.52842

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C(C1=C(C=CS1)CC(=O)OCC2C3N(C2=O)C(=CCS3)C(=O)O)C(=O)N

Isomeric SMILES

CS(=O)(=O)C(C1=C(C=CS1)CC(=O)OCC2[C@H]3N(C2=O)C(=CCS3)C(=O)O)C(=O)N

InChI

InChI=1S/C17H18N2O8S3/c1-30(25,26)13(14(18)21)12-8(2-4-28-12)6-11(20)27-7-9-15(22)19-10(17(23)24)3-5-29-16(9)19/h2-4,9,13,16H,5-7H2,1H3,(H2,18,21)(H,23,24)/t9?,13?,16-/m0/s1