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

Systemtic Name: [4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]phenyl] benzoate Openeye Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]phenyl] benzoate CAS Name: benzoic acid [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] ester IUPAC Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] benzoate Traditional Name: benzoic acid [4-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]phenyl] ester Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CN(C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H16N2O4S/c1-23(20-18-9-5-6-10-19(18)28(25,26)22-20)16-11-13-17(14-12-16)27-21(24)15-7-3-2-4-8-15/h2-14H,1H3