ethyl 2-[5,7-dimethyl-2-(1-propan-2-ylpyrazol-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[5,7-dimethyl-2-(1-propan-2-ylpyrazol-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(1-isopropylpyrazole-3-carbonyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[5,7-dimethyl-2-[oxo-(1-propan-2-yl-3-pyrazolyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5,7-dimethyl-2-(1-propan-2-ylpyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1-isopropylpyrazole-3-carbonyl)imino-5,7-dimethyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC(=CC(=C2SC1=NC(=O)C3=NN(C=C3)C(C)C)C)C

Isomeric SMILES

CCOC(=O)CN1C2=CC(=CC(=C2SC1=NC(=O)C3=NN(C=C3)C(C)C)C)C

InChI

InChI=1S/C20H24N4O3S/c1-6-27-17(25)11-23-16-10-13(4)9-14(5)18(16)28-20(23)21-19(26)15-7-8-24(22-15)12(2)3/h7-10,12H,6,11H2,1-5H3