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

Systemtic Name: ethyl 3-methyl-2-(1-propan-2-ylpyrazol-3-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(1-isopropylpyrazole-3-carbonyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[oxo-(1-propan-2-yl-3-pyrazolyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-(1-propan-2-ylpyrazole-3-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(1-isopropylpyrazole-3-carbonyl)imino-3-methyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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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)C)S2)C

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3S/c1-5-25-17(24)12-6-7-14-15(10-12)26-18(21(14)4)19-16(23)13-8-9-22(20-13)11(2)3/h6-11H,5H2,1-4H3