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

Systemtic Name: ethyl 2-[6-ethoxy-2-(1-methylpyrazol-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethoxy-2-(1-methylpyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethoxy-2-[(1-methyl-3-pyrazolyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethoxy-2-(1-methylpyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethoxy-2-(1-methylpyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4S/c1-4-25-12-6-7-14-15(10-12)27-18(22(14)11-16(23)26-5-2)19-17(24)13-8-9-21(3)20-13/h6-10H,4-5,11H2,1-3H3