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

Systemtic Name: ethyl 2-[3-(4-methylphenyl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(p-tolylsulfanyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-methylphenyl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(p-tolylthio)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H25NO3S2 MolecularWeight: 403.5581

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCSC3=CC=C(C=C3)C

InChI

InChI=1S/C21H25NO3S2/c1-3-25-21(24)19-16-6-4-5-7-17(16)27-20(19)22-18(23)12-13-26-15-10-8-14(2)9-11-15/h8-11H,3-7,12-13H2,1-2H3,(H,22,23)