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

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NCC3=CC=C(C=C3)C

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NCC3=CC=C(C=C3)C

InChI

InChI=1S/C20H23NO3S/c1-13-3-6-15(7-4-13)11-21-19(22)12-24-20(23)18-10-16-9-14(2)5-8-17(16)25-18/h3-4,6-7,10,14H,5,8-9,11-12H2,1-2H3,(H,21,22)