[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)C

InChI

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