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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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