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

Systemtic Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate Openeye Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxo-ethyl] 4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethyl-3-thiophenyl)-4-oxobutanoic acid [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethyl-3-thienyl)-4-keto-butyric acid [2-[1-(4-bromophenyl)ethylamino]-2-keto-ethyl] ester Formula: C20H22BrNO4S MolecularWeight: 452.36198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCC(=O)NC(C)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCC(=O)NC(C)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H22BrNO4S/c1-12-10-17(14(3)27-12)18(23)8-9-20(25)26-11-19(24)22-13(2)15-4-6-16(21)7-5-15/h4-7,10,13H,8-9,11H2,1-3H3,(H,22,24)