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

Systemtic Name: ethyl 4-methyl-2-[2-(4-methylphenyl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[2-(p-tolylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4-methyl-2-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4-methyl-2-[[2-(p-tolylthio)acetyl]amino]-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=C1C(CCC2)C)NC(=O)CSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)CSC3=CC=C(C=C3)C

InChI

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