methyl (6S)-7-[(2-azanyl-2-phenyl-ethanoyl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: methyl (6S)-7-[(2-azanyl-2-phenyl-ethanoyl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: methyl (6S)-7-[(2-amino-2-phenyl-acetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6S)-7-[(2-amino-1-oxo-2-phenylethyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester IUPAC Name: methyl (6S)-7-[(2-amino-2-phenylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6S)-7-[(2-amino-2-phenyl-acetyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)OC

Isomeric SMILES

CC1=C(N2[C@H](C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)OC

InChI

InChI=1S/C17H19N3O4S/c1-9-8-25-16-12(15(22)20(16)13(9)17(23)24-2)19-14(21)11(18)10-6-4-3-5-7-10/h3-7,11-12,16H,8,18H2,1-2H3,(H,19,21)/t11?,12?,16-/m0/s1