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

Systemtic Name: [3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl] 3-bromanylbenzoate Openeye Name: [3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] ester IUPAC Name: [3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]phenyl] ester Formula: C20H13BrN2O4S MolecularWeight: 457.29722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC(=CC=C3)OC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC(=CC=C3)OC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C20H13BrN2O4S/c21-14-6-3-5-13(11-14)20(24)27-16-8-4-7-15(12-16)22-19-17-9-1-2-10-18(17)28(25,26)23-19/h1-12H,(H,22,23)