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

Systemtic Name: [3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl] 2-chloranylbenzoate Openeye Name: [3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic 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] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]phenyl] ester Formula: C20H13ClN2O4S MolecularWeight: 412.84622

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=C4Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NC3=CC(=CC=C3)OC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H13ClN2O4S/c21-17-10-3-1-8-15(17)20(24)27-14-7-5-6-13(12-14)22-19-16-9-2-4-11-18(16)28(25,26)23-19/h1-12H,(H,22,23)