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

Systemtic Name: methyl 2-[3-(4-ethoxy-3-methoxy-phenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO5S/c1-4-28-16-11-9-14(13-17(16)26-2)10-12-19(24)23-21-20(22(25)27-3)15-7-5-6-8-18(15)29-21/h9,11,13H,4-8,10,12H2,1-3H3,(H,23,24)