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

Systemtic Name: methyl 2-[3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-benzyloxy-3-methoxy-phenyl)prop-2-enoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(3-methoxy-4-phenylmethoxyphenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-(4-benzoxy-3-methoxy-phenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C27H27NO5S MolecularWeight: 477.57198

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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)OC)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO5S/c1-31-22-16-18(12-14-21(22)33-17-19-8-4-3-5-9-19)13-15-24(29)28-26-25(27(30)32-2)20-10-6-7-11-23(20)34-26/h3-5,8-9,12-16H,6-7,10-11,17H2,1-2H3,(H,28,29)