methyl 6-[2-(1,2-benzothiazol-3-ylamino)ethylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: methyl 6-[2-(1,2-benzothiazol-3-ylamino)ethylcarbamoyl]pyridine-2-carboxylate Openeye Name: methyl 6-[2-(1,2-benzothiazol-3-ylamino)ethylcarbamoyl]pyridine-2-carboxylate CAS Name: 6-[[2-(1,2-benzothiazol-3-ylamino)ethylamino]-oxomethyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-(1,2-benzothiazol-3-ylamino)ethylcarbamoyl]pyridine-2-carboxylate Traditional Name: 6-[2-(1,2-benzothiazol-3-ylamino)ethylcarbamoyl]picolinic acid methyl ester Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=N1)C(=O)NCCNC2=NSC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC=CC(=N1)C(=O)NCCNC2=NSC3=CC=CC=C32

InChI

InChI=1S/C17H16N4O3S/c1-24-17(23)13-7-4-6-12(20-13)16(22)19-10-9-18-15-11-5-2-3-8-14(11)25-21-15/h2-8H,9-10H2,1H3,(H,18,21)(H,19,22)