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

Systemtic Name: 2-[[(E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(E)-3-(4-butoxy-3-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(E)-3-(4-butoxy-3-ethoxy-phenyl)acryloyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H32N2O4S MolecularWeight: 456.59758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4S/c1-4-6-13-31-19-11-8-17(15-20(19)30-5-2)9-12-22(28)27-25-23(24(26)29)18-10-7-16(3)14-21(18)32-25/h8-9,11-12,15-16H,4-7,10,13-14H2,1-3H3,(H2,26,29)(H,27,28)/b12-9+