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

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(1,2-dimethylindol-3-yl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(1,2-dimethylindol-3-yl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(1,2-dimethyl-3-indolyl)-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(1,2-dimethylindol-3-yl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(1,2-dimethylindol-3-yl)acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C(=C/C2=C(N(C3=CC=CC=C32)C)C)/C#N

InChI

InChI=1S/C23H23N3O3S/c1-6-29-23(28)20-13(2)15(4)30-22(20)25-21(27)16(12-24)11-18-14(3)26(5)19-10-8-7-9-17(18)19/h7-11H,6H2,1-5H3,(H,25,27)/b16-11+