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

Systemtic Name: [4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-[(4-methoxyphenyl)methyl]amino]phenyl] pyridine-3-carboxylate Openeye Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-[(4-methoxyphenyl)methyl]amino]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-[(4-methoxyphenyl)methyl]amino]phenyl] ester IUPAC Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-[(4-methoxyphenyl)methyl]amino]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[(1,1-diketo-1,2-benzothiazol-3-yl)-p-anisyl-amino]phenyl] ester Formula: C27H21N3O5S MolecularWeight: 499.53774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(C2=CC=C(C=C2)OC(=O)C3=CN=CC=C3)C4=NS(=O)(=O)C5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)CN(C2=CC=C(C=C2)OC(=O)C3=CN=CC=C3)C4=NS(=O)(=O)C5=CC=CC=C54

InChI

InChI=1S/C27H21N3O5S/c1-34-22-12-8-19(9-13-22)18-30(26-24-6-2-3-7-25(24)36(32,33)29-26)21-10-14-23(15-11-21)35-27(31)20-5-4-16-28-17-20/h2-17H,18H2,1H3