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

Systemtic Name: [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethyl-3-thiophenyl)-4-oxobutanoic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylanilino)-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-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCC(=O)C2=C(SC(=C2)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCC(=O)C2=C(SC(=C2)C)C

InChI

InChI=1S/C21H25NO4S/c1-5-16-6-8-17(9-7-16)22-21(25)14(3)26-20(24)11-10-19(23)18-12-13(2)27-15(18)4/h6-9,12,14H,5,10-11H2,1-4H3,(H,22,25)