ethyl 2-[[2-cyano-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-cyano-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-cyano-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-cyano-3-[1-(2-cyanoethyl)-3-indolyl]-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-cyano-3-[1-(2-cyanoethyl)indol-3-yl]prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-cyano-3-[1-(2-cyanoethyl)indol-3-yl]acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CCC#N)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CCC#N)C#N

InChI

InChI=1S/C24H22N4O3S/c1-4-31-24(30)21-15(2)16(3)32-23(21)27-22(29)17(13-26)12-18-14-28(11-7-10-25)20-9-6-5-8-19(18)20/h5-6,8-9,12,14H,4,7,11H2,1-3H3,(H,27,29)