[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-4,5-dimethyl-3-thiophenecarboxylic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethyl-thiophene-3-carboxylic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C(=C(S2)C)C)C(=O)OCC(=O)NC3=CC=CC=C3C#N)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C(=C(S2)C)C)C(=O)OCC(=O)NC3=CC=CC=C3C#N)C

InChI

InChI=1S/C22H21N3O3S/c1-13-9-10-14(2)25(13)21-20(15(3)16(4)29-21)22(27)28-12-19(26)24-18-8-6-5-7-17(18)11-23/h5-10H,12H2,1-4H3,(H,24,26)