[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[methyl(thiophen-2-ylcarbonyl)amino]benzoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[methyl(thiophen-2-ylcarbonyl)amino]benzoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 2-[methyl(thiophene-2-carbonyl)amino]benzoate CAS Name: 2-[methyl-[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-[methyl(thiophene-2-carbonyl)amino]benzoate Traditional Name: 2-[methyl(2-thenoyl)amino]benzoic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C22H19BrN2O4S MolecularWeight: 487.36626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC=CC=C2N(C)C(=O)C3=CC=CS3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC=CC=C2N(C)C(=O)C3=CC=CS3)Br

InChI

InChI=1S/C22H19BrN2O4S/c1-14-12-15(9-10-17(14)23)24-20(26)13-29-22(28)16-6-3-4-7-18(16)25(2)21(27)19-8-5-11-30-19/h3-12H,13H2,1-2H3,(H,24,26)