ethyl 2-[(4-chloranyl-2-methyl-pyrazol-3-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[(4-chloranyl-2-methyl-pyrazol-3-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(4-chloro-2-methyl-pyrazole-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(4-chloro-2-methyl-3-pyrazolyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-chloro-2-methylpyrazole-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-chloro-2-methyl-pyrazole-3-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C15H13ClN4O3S MolecularWeight: 364.80672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=NN3C)Cl

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=NN3C)Cl

InChI

InChI=1S/C15H13ClN4O3S/c1-3-23-14(22)8-4-5-10-11(6-8)24-15(18-10)19-13(21)12-9(16)7-17-20(12)2/h4-7H,3H2,1-2H3,(H,18,19,21)