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

Systemtic Name: ethyl 2-[[2-cyano-3-(1-methylindol-3-yl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-cyano-3-(1-methylindol-3-yl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-cyano-3-(1-methyl-3-indolyl)-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-cyano-3-(1-methylindol-3-yl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-cyano-3-(1-methylindol-3-yl)acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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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)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S/c1-5-28-22(27)19-13(2)14(3)29-21(19)24-20(26)15(11-23)10-16-12-25(4)18-9-7-6-8-17(16)18/h6-10,12H,5H2,1-4H3,(H,24,26)