ethyl 2-[4,7-dimethoxy-2-(1-propan-2-ylpyrazol-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4,7-dimethoxy-2-(1-propan-2-ylpyrazol-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(1-isopropylpyrazole-3-carbonyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4,7-dimethoxy-2-[oxo-(1-propan-2-yl-3-pyrazolyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4,7-dimethoxy-2-(1-propan-2-ylpyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1-isopropylpyrazole-3-carbonyl)imino-4,7-dimethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O5S/c1-6-29-16(25)11-23-17-14(27-4)7-8-15(28-5)18(17)30-20(23)21-19(26)13-9-10-24(22-13)12(2)3/h7-10,12H,6,11H2,1-5H3