[2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-2-methyl-propyl] 4-bromanylbenzoate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-2-methyl-propyl] 4-bromanylbenzoate Openeye Name: [2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-2-methyl-propyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-2-methylpropyl] ester IUPAC Name: [2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-2-methylpropyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-2-methyl-propyl] ester Formula: C18H17BrN2O4S MolecularWeight: 437.30758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC(=O)C1=CC=C(C=C1)Br)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)(COC(=O)C1=CC=C(C=C1)Br)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H17BrN2O4S/c1-18(2,11-25-17(22)12-7-9-13(19)10-8-12)20-16-14-5-3-4-6-15(14)26(23,24)21-16/h3-10H,11H2,1-2H3,(H,20,21)