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

Systemtic Name: 2-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(E)-3-(4-butoxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(E)-3-(4-butoxyphenyl)-2-cyano-acryloyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)N

InChI

InChI=1S/C24H27N3O3S/c1-3-4-11-30-18-8-6-16(7-9-18)13-17(14-25)23(29)27-24-21(22(26)28)19-10-5-15(2)12-20(19)31-24/h6-9,13,15H,3-5,10-12H2,1-2H3,(H2,26,28)(H,27,29)/b17-13+