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

Systemtic Name: ethyl 3-(2-methoxy-2-oxidanylidene-ethyl)-2-(1-propan-2-ylpyrazol-3-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(1-isopropylpyrazole-3-carbonyl)imino-3-(2-methoxy-2-oxo-ethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxy-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-methoxy-2-oxoethyl)-2-(1-propan-2-ylpyrazole-3-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(1-isopropylpyrazole-3-carbonyl)imino-3-(2-keto-2-methoxy-ethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H22N4O5S MolecularWeight: 430.47748

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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)CC(=O)OC

Isomeric SMILES

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

InChI

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