methyl 6-[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]pyridine-3-carboxylate Openeye Name: methyl 6-[[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]pyridine-3-carboxylate CAS Name: 6-[oxo-[[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]amino]methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]pyridine-3-carboxylate Traditional Name: 6-[[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]carbamoyl]nicotinic acid methyl ester Formula: C21H16N4O3S2 MolecularWeight: 436.50674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

InChI

InChI=1S/C21H16N4O3S2/c1-28-20(27)14-4-6-17(23-11-14)19(26)24-15-5-7-16-18(9-15)30-21(25-16)29-12-13-3-2-8-22-10-13/h2-11H,12H2,1H3,(H,24,26)