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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CNC4=CC=CC=C43)C#N

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CNC4=CC=CC=C43)C#N

InChI

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