(3-bromophenyl) 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate

Systemtic Name: (3-bromophenyl) 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate Openeye Name: (3-bromophenyl) 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid (3-bromophenyl) ester IUPAC Name: (3-bromophenyl) 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propionic acid (3-bromophenyl) ester Formula: C16H13BrN2O4S MolecularWeight: 409.25442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)OC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)OC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H13BrN2O4S/c17-11-4-3-5-12(10-11)23-15(20)8-9-18-16-13-6-1-2-7-14(13)24(21,22)19-16/h1-7,10H,8-9H2,(H,18,19)