methyl 2-[2-(1-methylpyrazol-3-yl)carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(1-methylpyrazol-3-yl)carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(1-methylpyrazole-3-carbonyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(1-methyl-3-pyrazolyl)-oxomethyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1-methylpyrazole-3-carbonyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-mesyl-2-(1-methylpyrazole-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C16H16N4O5S2 MolecularWeight: 408.45204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC(=O)OC

Isomeric SMILES

CN1C=CC(=N1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC(=O)OC

InChI

InChI=1S/C16H16N4O5S2/c1-19-7-6-11(18-19)15(22)17-16-20(9-14(21)25-2)12-5-4-10(27(3,23)24)8-13(12)26-16/h4-8H,9H2,1-3H3