propan-2-yl 2-[[2-cyano-3-(1-methylindol-3-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[[2-cyano-3-(1-methylindol-3-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-cyano-3-(1-methylindol-3-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-cyano-3-(1-methyl-3-indolyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-cyano-3-(1-methylindol-3-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-cyano-3-(1-methylindol-3-yl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CN(C4=CC=CC=C43)C)C#N

Isomeric SMILES

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CN(C4=CC=CC=C43)C)C#N

InChI

InChI=1S/C25H25N3O3S/c1-15(2)31-25(30)22-19-9-5-7-11-21(19)32-24(22)27-23(29)16(13-26)12-17-14-28(3)20-10-6-4-8-18(17)20/h4,6,8,10,12,14-15H,5,7,9,11H2,1-3H3,(H,27,29)