[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2,5-dimethylthiophene-3-carboxylate

Systemtic Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 2,5-dimethylthiophene-3-carboxylate Openeye Name: [2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl] 2,5-dimethylthiophene-3-carboxylate CAS Name: 2,5-dimethyl-3-thiophenecarboxylic acid [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate Traditional Name: 2,5-dimethylthiophene-3-carboxylic acid [2-keto-2-[2-(o-tolyl)ethylamino]ethyl] ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)COC(=O)C2=C(SC(=C2)C)C

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)COC(=O)C2=C(SC(=C2)C)C

InChI

InChI=1S/C18H21NO3S/c1-12-6-4-5-7-15(12)8-9-19-17(20)11-22-18(21)16-10-13(2)23-14(16)3/h4-7,10H,8-9,11H2,1-3H3,(H,19,20)