ethyl 3-methyl-2-(1-methylpyrazol-3-yl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-methyl-2-(1-methylpyrazol-3-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-methyl-2-(1-methylpyrazole-3-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[(1-methyl-3-pyrazolyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-(1-methylpyrazole-3-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-methyl-2-(1-methylpyrazole-3-carbonyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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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)S2)C

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O3S/c1-4-23-15(22)10-5-6-12-13(9-10)24-16(20(12)3)17-14(21)11-7-8-19(2)18-11/h5-9H,4H2,1-3H3