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

Systemtic Name: ethyl 2-[4,7-dimethoxy-2-(1-methylpyrazol-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4,7-dimethoxy-2-(1-methylpyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4,7-dimethoxy-2-[(1-methyl-3-pyrazolyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4,7-dimethoxy-2-(1-methylpyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4,7-dimethoxy-2-(1-methylpyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5S/c1-5-27-14(23)10-22-15-12(25-3)6-7-13(26-4)16(15)28-18(22)19-17(24)11-8-9-21(2)20-11/h6-9H,5,10H2,1-4H3