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

Systemtic Name: [4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]phenyl] naphthalene-1-carboxylate Openeye Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] ester IUPAC Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [4-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]phenyl] ester Formula: C25H18N2O4S MolecularWeight: 442.48642

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OC(=O)C2=CC=CC3=CC=CC=C32)C4=NS(=O)(=O)C5=CC=CC=C54

Isomeric SMILES

CN(C1=CC=C(C=C1)OC(=O)C2=CC=CC3=CC=CC=C32)C4=NS(=O)(=O)C5=CC=CC=C54

InChI

InChI=1S/C25H18N2O4S/c1-27(24-22-10-4-5-12-23(22)32(29,30)26-24)18-13-15-19(16-14-18)31-25(28)21-11-6-8-17-7-2-3-9-20(17)21/h2-16H,1H3