[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (3S)-5-oxidanylidene-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (3S)-5-oxidanylidene-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] (3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate CAS Name: (3S)-5-oxo-1-[(1R)-1-phenylethyl]-3-pyrrolidinecarboxylic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C20H19N3O4S/c1-13(14-5-3-2-4-6-14)23-11-16(9-18(23)25)20(26)27-12-17(24)22-19-15(10-21)7-8-28-19/h2-8,13,16H,9,11-12H2,1H3,(H,22,24)/t13-,16+/m1/s1