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

Systemtic Name: ethyl 2-[3-(4-ethoxy-3-methoxy-phenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-ethoxy-3-methoxy-phenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(4-ethoxy-3-methoxyphenyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(4-ethoxy-3-methoxy-phenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO5S/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/h10,12,14H,4-9,11,13H2,1-3H3,(H,24,25)