butyl 2-[(2-chloranylpyridin-3-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[(2-chloranylpyridin-3-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(2-chloropyridine-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(2-chloro-3-pyridinyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(2-chloropyridine-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(2-chloronicotinoyl)amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O3S/c1-2-3-9-25-17(24)11-6-7-13-14(10-11)26-18(21-13)22-16(23)12-5-4-8-20-15(12)19/h4-8,10H,2-3,9H2,1H3,(H,21,22,23)