[4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl] 2-bromanylbutanoate

Systemtic Name: [4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl] 2-bromanylbutanoate Openeye Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 2-bromobutanoate CAS Name: 2-bromobutanoic acid [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] ester IUPAC Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 2-bromobutanoate Traditional Name: 2-bromobutyric acid [4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]phenyl] ester Formula: C17H15BrN2O4S MolecularWeight: 423.281

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1=CC=C(C=C1)NC2=NS(=O)(=O)C3=CC=CC=C32)Br

Isomeric SMILES

CCC(C(=O)OC1=CC=C(C=C1)NC2=NS(=O)(=O)C3=CC=CC=C32)Br

InChI

InChI=1S/C17H15BrN2O4S/c1-2-14(18)17(21)24-12-9-7-11(8-10-12)19-16-13-5-3-4-6-15(13)25(22,23)20-16/h3-10,14H,2H2,1H3,(H,19,20)