(6S)-7-[2-[2-(1-azanyl-1-oxidanylidene-propan-2-yl)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-(1-azanyl-1-oxidanylidene-propan-2-yl)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-methyl-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-(1-amino-1-oxopropan-2-yl)-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-(1-amino-1-oxopropan-2-yl)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-methyl-ethyl)-3-thienyl]acetyl]oxymethyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H18N2O6S2 MolecularWeight: 410.46462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6S2/c1-8(14(18)21)13-9(2-4-26-13)6-12(20)25-7-10-15(22)19-11(17(23)24)3-5-27-16(10)19/h2-4,8,10,16H,5-7H2,1H3,(H2,18,21)(H,23,24)/t8?,10?,16-/m0/s1