[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxo-ethyl] 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid [2-[1-(3,4-dimethylphenyl)ethylamino]-2-keto-ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)C)C

InChI

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