[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl pyridine-3-carboxylate

Systemtic Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl pyridine-3-carboxylate Openeye Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenoxy]-oxomethyl]amino]methyl ester IUPAC Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenoxy]carbonylamino]methyl pyridine-3-carboxylate Traditional Name: nicotinic acid [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl ester Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)OC(=O)NCOC(=O)C4=CN=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)OC(=O)NCOC(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H19N3O5S/c1-15-11-17(29-13-21-26-18-6-2-3-7-20(18)32-21)8-9-19(15)31-23(28)25-14-30-22(27)16-5-4-10-24-12-16/h2-12H,13-14H2,1H3,(H,25,28)