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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

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