butyl 2-(pyridin-3-ylcarbonylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-(pyridin-3-ylcarbonylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-(pyridine-3-carbonylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[oxo(3-pyridinyl)methyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-(pyridine-3-carbonylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-nicotinamido-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H17N3O3S/c1-2-3-9-24-17(23)12-6-7-14-15(10-12)25-18(20-14)21-16(22)13-5-4-8-19-11-13/h4-8,10-11H,2-3,9H2,1H3,(H,20,21,22)