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

Systemtic Name: 2-[3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-(4-benzyloxy-3-methoxy-phenyl)prop-2-enoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[3-(3-methoxy-4-phenylmethoxyphenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[3-(4-benzoxy-3-methoxy-phenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C=CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)OCC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O4S/c1-31-21-15-17(11-13-20(21)32-16-18-7-3-2-4-8-18)12-14-23(29)28-26-24(25(27)30)19-9-5-6-10-22(19)33-26/h2-4,7-8,11-15H,5-6,9-10,16H2,1H3,(H2,27,30)(H,28,29)