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

Systemtic Name: 2-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(E)-3-(4-hexoxy-3-methoxy-phenyl)acryloyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H34N2O4S MolecularWeight: 470.62416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)N)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)N)OC

InChI

InChI=1S/C26H34N2O4S/c1-4-5-6-7-14-32-20-12-9-18(16-21(20)31-3)10-13-23(29)28-26-24(25(27)30)19-11-8-17(2)15-22(19)33-26/h9-10,12-13,16-17H,4-8,11,14-15H2,1-3H3,(H2,27,30)(H,28,29)/b13-10+