[1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate

Systemtic Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-phenyl-3-pyrrolecarboxylic acid [1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H19N3O3S MolecularWeight: 393.45886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OC(C)C(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)OC(C)C(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C21H19N3O3S/c1-13-11-18(14(2)24(13)17-7-5-4-6-8-17)21(26)27-15(3)19(25)23-20-16(12-22)9-10-28-20/h4-11,15H,1-3H3,(H,23,25)