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

Systemtic Name: methyl 6-tert-butyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-tert-butyl-2-[3-(p-tolylsulfanyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-tert-butyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[3-(p-tolylthio)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H31NO3S2 MolecularWeight: 445.63784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C24H31NO3S2/c1-15-6-9-17(10-7-15)29-13-12-20(26)25-22-21(23(27)28-5)18-11-8-16(24(2,3)4)14-19(18)30-22/h6-7,9-10,16H,8,11-14H2,1-5H3,(H,25,26)