[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] (3S)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] (3S)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-[(3-carbamoyl-2-thienyl)amino]-2-oxo-ethyl] (3S)-1-(2,3-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(2,3-dimethylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)OCC(=O)NC3=C(C=CS3)C(=O)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=C(C=CS3)C(=O)N)C

InChI

InChI=1S/C20H21N3O5S/c1-11-4-3-5-15(12(11)2)23-9-13(8-17(23)25)20(27)28-10-16(24)22-19-14(18(21)26)6-7-29-19/h3-7,13H,8-10H2,1-2H3,(H2,21,26)(H,22,24)/t13-/m0/s1