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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-naphthalen-1-yl-prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(1-naphthyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(1-naphthalenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-naphthalen-1-ylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(1-naphthyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=CC3=CC=CC4=CC=CC=C43)C#N

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C(=C/C3=CC=CC4=CC=CC=C43)/C#N

InChI

InChI=1S/C24H20N2O3S/c1-29-24(28)21-19-11-4-5-12-20(19)30-23(21)26-22(27)17(14-25)13-16-9-6-8-15-7-2-3-10-18(15)16/h2-3,6-10,13H,4-5,11-12H2,1H3,(H,26,27)/b17-13+