(2-benzamido-2-oxidanylidene-ethyl) (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) (3S)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) (3S)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxylic acid (2-benzamido-2-keto-ethyl) ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2CC(CC2=O)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)N2C[C@H](CC2=O)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S/c1-29-17-9-5-8-16(11-17)23-12-15(10-19(23)25)21(27)28-13-18(24)22-20(26)14-6-3-2-4-7-14/h2-9,11,15H,10,12-13H2,1H3,(H,22,24,26)/t15-/m0/s1