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

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)C2=CSC3=C2CCCC3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)C2=CSC3=C2CCCC3

InChI

InChI=1S/C18H19NO3S/c1-12-6-2-4-8-15(12)19-17(20)10-22-18(21)14-11-23-16-9-5-3-7-13(14)16/h2,4,6,8,11H,3,5,7,9-10H2,1H3,(H,19,20)