methyl 2-[2-(1,4-dimethylpyrazol-3-yl)carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(1,4-dimethylpyrazol-3-yl)carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(1,4-dimethylpyrazole-3-carbonyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(1,4-dimethyl-3-pyrazolyl)-oxomethyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,4-dimethylpyrazole-3-carbonyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1,4-dimethylpyrazole-3-carbonyl)imino-6-mesyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C17H18N4O5S2 MolecularWeight: 422.47862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(N=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC(=O)OC)C

Isomeric SMILES

CC1=CN(N=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC(=O)OC)C

InChI

InChI=1S/C17H18N4O5S2/c1-10-8-20(2)19-15(10)16(23)18-17-21(9-14(22)26-3)12-6-5-11(28(4,24)25)7-13(12)27-17/h5-8H,9H2,1-4H3