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

Systemtic Name: ethyl 6-methyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[3-(p-tolylsulfanyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[3-(p-tolylthio)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H27NO3S2 MolecularWeight: 417.58468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CCSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CCSC3=CC=C(C=C3)C

InChI

InChI=1S/C22H27NO3S2/c1-4-26-22(25)20-17-10-7-15(3)13-18(17)28-21(20)23-19(24)11-12-27-16-8-5-14(2)6-9-16/h5-6,8-9,15H,4,7,10-13H2,1-3H3,(H,23,24)