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

Systemtic Name: [4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl] 4-methoxybenzoate Openeye Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic 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] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]phenyl] ester Formula: C21H16N2O5S MolecularWeight: 408.42714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H16N2O5S/c1-27-16-10-6-14(7-11-16)21(24)28-17-12-8-15(9-13-17)22-20-18-4-2-3-5-19(18)29(25,26)23-20/h2-13H,1H3,(H,22,23)