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

Systemtic Name: ethyl 2-[3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C28H29NO5S MolecularWeight: 491.59856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C28H29NO5S/c1-3-33-28(31)26-21-11-7-8-12-24(21)35-27(26)29-25(30)16-14-19-13-15-22(23(17-19)32-2)34-18-20-9-5-4-6-10-20/h4-6,9-10,13-17H,3,7-8,11-12,18H2,1-2H3,(H,29,30)