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

Systemtic Name: ethyl 3-ethyl-2-(5-methyl-1-propan-2-yl-pyrazol-3-yl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-ethyl-2-(1-isopropyl-5-methyl-pyrazole-3-carbonyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[(5-methyl-1-propan-2-yl-3-pyrazolyl)-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-ethyl-2-(1-isopropyl-5-methyl-pyrazole-3-carbonyl)imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=NN(C(=C3)C)C(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=NN(C(=C3)C)C(C)C

InChI

InChI=1S/C20H24N4O3S/c1-6-23-16-9-8-14(19(26)27-7-2)11-17(16)28-20(23)21-18(25)15-10-13(5)24(22-15)12(3)4/h8-12H,6-7H2,1-5H3