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

Systemtic Name: [2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-tert-butylanilino)-2-oxo-ethyl] 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [2-(4-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [2-(4-tert-butylanilino)-2-keto-ethyl] ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO4S/c1-20(2,3)13-4-6-14(7-5-13)22-18(24)12-26-19(25)11-8-15(23)16-9-10-17(21)27-16/h4-7,9-10H,8,11-12H2,1-3H3,(H,22,24)