dimethyl 5-[[2-(1,3-benzothiazol-2-yl)pyridin-3-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[2-(1,3-benzothiazol-2-yl)pyridin-3-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(1,3-benzothiazol-2-yl)pyridine-3-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-(1,3-benzothiazol-2-yl)-3-pyridinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(1,3-benzothiazol-2-yl)pyridine-3-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(1,3-benzothiazol-2-yl)nicotinoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H17N3O5S MolecularWeight: 447.46318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)C3=NC4=CC=CC=C4S3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(N=CC=C2)C3=NC4=CC=CC=C4S3)C(=O)OC

InChI

InChI=1S/C23H17N3O5S/c1-30-22(28)13-10-14(23(29)31-2)12-15(11-13)25-20(27)16-6-5-9-24-19(16)21-26-17-7-3-4-8-18(17)32-21/h3-12H,1-2H3,(H,25,27)