ethyl 2-[6-ethoxy-2-(1-propan-2-ylpyrazol-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-ethoxy-2-(1-propan-2-ylpyrazol-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethoxy-2-(1-isopropylpyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[oxo-(1-propan-2-yl-3-pyrazolyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethoxy-2-(1-propan-2-ylpyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-(1-isopropylpyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=NN(C=C3)C(C)C)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=NN(C=C3)C(C)C)S2)CC(=O)OCC

InChI

InChI=1S/C20H24N4O4S/c1-5-27-14-7-8-16-17(11-14)29-20(23(16)12-18(25)28-6-2)21-19(26)15-9-10-24(22-15)13(3)4/h7-11,13H,5-6,12H2,1-4H3