[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] (3S)-1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] (3S)-1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] (3S)-5-oxo-1-(p-tolylmethyl)pyrrolidine-3-carboxylate CAS Name: (3S)-1-[(4-methylphenyl)methyl]-5-oxo-3-pyrrolidinecarboxylic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] (3S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(4-methylbenzyl)pyrrolidine-3-carboxylic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)OCC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C[C@H](CC2=O)C(=O)OCC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C20H21N3O5S/c1-12-2-4-13(5-3-12)9-23-10-14(8-17(23)25)20(27)28-11-16(24)22-19-15(18(21)26)6-7-29-19/h2-7,14H,8-11H2,1H3,(H2,21,26)(H,22,24)/t14-/m0/s1