methyl (6R,7R)-7-benzamido-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: methyl (6R,7R)-7-benzamido-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: methyl (6R,7R)-7-benzamido-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-7-benzamido-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester IUPAC Name: methyl (6R,7R)-7-benzamido-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-benzamido-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4S/c1-9-8-23-15-11(14(20)18(15)12(9)16(21)22-2)17-13(19)10-6-4-3-5-7-10/h3-7,11,15H,8H2,1-2H3,(H,17,19)/t11-,15-/m1/s1