ethyl 2-(1,5-dimethylpyrazol-3-yl)carbonylimino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-(1,5-dimethylpyrazol-3-yl)carbonylimino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(1,5-dimethylpyrazole-3-carbonyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(1,5-dimethyl-3-pyrazolyl)-oxomethyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,5-dimethylpyrazole-3-carbonyl)imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(1,5-dimethylpyrazole-3-carbonyl)imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=NN(C(=C3)C)C)S2)CCSC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=NN(C(=C3)C)C)S2)CCSC

InChI

InChI=1S/C19H22N4O3S2/c1-5-26-18(25)13-6-7-15-16(11-13)28-19(23(15)8-9-27-4)20-17(24)14-10-12(2)22(3)21-14/h6-7,10-11H,5,8-9H2,1-4H3