[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C17H16BrNO4S MolecularWeight: 410.28224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2)Br

InChI

InChI=1S/C17H16BrNO4S/c1-11-9-12(4-5-13(11)18)19-16(21)10-23-17(22)7-6-14(20)15-3-2-8-24-15/h2-5,8-9H,6-7,10H2,1H3,(H,19,21)