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

Systemtic Name: methyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-(1-propan-2-ylpyrazol-3-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5S/c1-5-29-17(25)11-23-15-7-6-13(19(27)28-4)10-16(15)30-20(23)21-18(26)14-8-9-24(22-14)12(2)3/h6-10,12H,5,11H2,1-4H3