ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(5-methyl-1-propan-2-yl-pyrazol-3-yl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(5-methyl-1-propan-2-yl-pyrazol-3-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-ethoxy-2-oxo-ethyl)-2-(1-isopropyl-5-methyl-pyrazole-3-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxy-2-oxoethyl)-2-[(5-methyl-1-propan-2-yl-3-pyrazolyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxy-2-oxoethyl)-2-(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxy-2-keto-ethyl)-2-(1-isopropyl-5-methyl-pyrazole-3-carbonyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=NN(C(=C3)C)C(C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=NN(C(=C3)C)C(C)C

InChI

InChI=1S/C22H26N4O5S/c1-6-30-19(27)12-25-17-9-8-15(21(29)31-7-2)11-18(17)32-22(25)23-20(28)16-10-14(5)26(24-16)13(3)4/h8-11,13H,6-7,12H2,1-5H3