ethyl 2-[3-[2-cyano-3-[(4-ethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-[2-cyano-3-[(4-ethylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-[2-cyano-3-(4-ethylanilino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[3-[2-cyano-3-(4-ethylanilino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-[2-cyano-3-(4-ethylanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[2-cyano-3-(4-ethylanilino)-3-keto-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H31N3O3S MolecularWeight: 501.63974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(=CC2=C(N(C(=C2)C)C3=C(C4=C(S3)CCCC4)C(=O)OCC)C)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(=CC2=C(N(C(=C2)C)C3=C(C4=C(S3)CCCC4)C(=O)OCC)C)C#N

InChI

InChI=1S/C29H31N3O3S/c1-5-20-11-13-23(14-12-20)31-27(33)22(17-30)16-21-15-18(3)32(19(21)4)28-26(29(34)35-6-2)24-9-7-8-10-25(24)36-28/h11-16H,5-10H2,1-4H3,(H,31,33)