[2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-2-methyl-propyl] 3-methylbenzoate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-2-methyl-propyl] 3-methylbenzoate Openeye Name: [2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-2-methyl-propyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-2-methylpropyl] ester IUPAC Name: [2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-2-methylpropyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-2-methyl-propyl] ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(C)(C)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCC(C)(C)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H20N2O4S/c1-13-7-6-8-14(11-13)18(22)25-12-19(2,3)20-17-15-9-4-5-10-16(15)26(23,24)21-17/h4-11H,12H2,1-3H3,(H,20,21)