[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C17H13BrN2O3S MolecularWeight: 405.26572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3)Br

InChI

InChI=1S/C17H13BrN2O3S/c1-10-6-12(3-4-13(10)18)20-16(21)8-23-17(22)11-2-5-14-15(7-11)24-9-19-14/h2-7,9H,8H2,1H3,(H,20,21)