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

Systemtic Name: 2-[[(E)-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(E)-3-(4-benzyloxy-3-methoxy-phenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(E)-3-(3-methoxy-4-phenylmethoxyphenyl)-1-oxoprop-2-enyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(E)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(E)-3-(4-benzoxy-3-methoxy-phenyl)acryloyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)/C=C/C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H28N2O4S/c1-17-8-11-20-23(14-17)34-27(25(20)26(28)31)29-24(30)13-10-18-9-12-21(22(15-18)32-2)33-16-19-6-4-3-5-7-19/h3-7,9-10,12-13,15,17H,8,11,14,16H2,1-2H3,(H2,28,31)(H,29,30)/b13-10+