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

Systemtic Name: ethyl 2-[3-(4-methoxyphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-methoxyphenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(4-methoxyphenyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-methoxyphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(4-methoxyphenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25NO4S/c1-3-26-21(24)19-16-6-4-5-7-17(16)27-20(19)22-18(23)13-10-14-8-11-15(25-2)12-9-14/h8-9,11-12H,3-7,10,13H2,1-2H3,(H,22,23)