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

Systemtic Name: [4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]phenyl] pyridine-4-carboxylate Openeye Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic 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] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]phenyl] ester Formula: C20H15N3O4S MolecularWeight: 393.4158

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OC(=O)C2=CC=NC=C2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CN(C1=CC=C(C=C1)OC(=O)C2=CC=NC=C2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H15N3O4S/c1-23(19-17-4-2-3-5-18(17)28(25,26)22-19)15-6-8-16(9-7-15)27-20(24)14-10-12-21-13-11-14/h2-13H,1H3