[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 2,5-dimethyl-1-(2-thienylmethyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxylic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(2-thenyl)pyrrole-3-carboxylic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C21H19N3O3S MolecularWeight: 393.45886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)OCC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)OCC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C21H19N3O3S/c1-14-10-18(15(2)24(14)12-17-7-5-9-28-17)21(26)27-13-20(25)23-19-8-4-3-6-16(19)11-22/h3-10H,12-13H2,1-2H3,(H,23,25)