[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] 5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] 5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(S2)CCC(C3)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)C2=CC3=C(S2)CCC(C3)C(C)(C)C

InChI

InChI=1S/C22H27NO3S/c1-14-7-5-6-8-17(14)23-20(24)13-26-21(25)19-12-15-11-16(22(2,3)4)9-10-18(15)27-19/h5-8,12,16H,9-11,13H2,1-4H3,(H,23,24)