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

Systemtic Name: ethyl 2-[3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(4-ethoxy-3-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-(4-ethoxy-3-methoxy-phenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C=CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)OC

InChI

InChI=1S/C23H27NO5S/c1-4-28-17-12-10-15(14-18(17)27-3)11-13-20(25)24-22-21(23(26)29-5-2)16-8-6-7-9-19(16)30-22/h10-14H,4-9H2,1-3H3,(H,24,25)