methyl 2-[[2-cyano-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[2-cyano-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-cyano-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-cyano-3-(4-ethoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-cyano-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-cyano-3-(4-ethoxy-3-methoxy-phenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H24N2O5S MolecularWeight: 440.51206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OC

InChI

InChI=1S/C23H24N2O5S/c1-4-30-17-10-9-14(12-18(17)28-2)11-15(13-24)21(26)25-22-20(23(27)29-3)16-7-5-6-8-19(16)31-22/h9-12H,4-8H2,1-3H3,(H,25,26)