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

Systemtic Name: [3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl] 4-butoxybenzoate Openeye Name: [3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic 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] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]phenyl] ester Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C24H22N2O5S/c1-2-3-15-30-19-13-11-17(12-14-19)24(27)31-20-8-6-7-18(16-20)25-23-21-9-4-5-10-22(21)32(28,29)26-23/h4-14,16H,2-3,15H2,1H3,(H,25,26)