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

Systemtic Name: ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(1-propan-2-ylpyrazol-3-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-ethoxy-2-oxo-ethyl)-2-(1-isopropylpyrazole-3-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxy-2-oxoethyl)-2-[oxo-(1-propan-2-yl-3-pyrazolyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxy-2-oxoethyl)-2-(1-propan-2-ylpyrazole-3-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxy-2-keto-ethyl)-2-(1-isopropylpyrazole-3-carbonyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H24N4O5S MolecularWeight: 444.50406

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5S/c1-5-29-18(26)12-24-16-8-7-14(20(28)30-6-2)11-17(16)31-21(24)22-19(27)15-9-10-25(23-15)13(3)4/h7-11,13H,5-6,12H2,1-4H3