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

Systemtic Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl 2-chloranylpyridine-3-carboxylate Openeye Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-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 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl ester Formula: C23H18ClN3O5S MolecularWeight: 483.92412

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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=C(N=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H18ClN3O5S/c1-14-11-15(30-12-20-27-17-6-2-3-7-19(17)33-20)8-9-18(14)32-23(29)26-13-31-22(28)16-5-4-10-25-21(16)24/h2-11H,12-13H2,1H3,(H,26,29)