[1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate

Systemtic Name: [1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate Openeye Name: [1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] 4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethyl-3-thiophenyl)-4-oxobutanoic acid [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethyl-3-thienyl)-4-keto-butyric acid [2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)OC(=O)CCC(=O)C2=C(SC(=C2)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C(C)OC(=O)CCC(=O)C2=C(SC(=C2)C)C

InChI

InChI=1S/C21H25NO4S/c1-13-5-7-17(8-6-13)12-22-21(25)15(3)26-20(24)10-9-19(23)18-11-14(2)27-16(18)4/h5-8,11,15H,9-10,12H2,1-4H3,(H,22,25)