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

Systemtic Name: [2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-2-methyl-propyl] naphthalene-1-carboxylate Openeye Name: [2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-2-methyl-propyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic 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] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-2-methyl-propyl] ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC(=O)C1=CC=CC2=CC=CC=C21)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C)(COC(=O)C1=CC=CC2=CC=CC=C21)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H20N2O4S/c1-22(2,23-20-18-11-5-6-13-19(18)29(26,27)24-20)14-28-21(25)17-12-7-9-15-8-3-4-10-16(15)17/h3-13H,14H2,1-2H3,(H,23,24)