methyl 2-[2-(5-methyl-1-propan-2-yl-pyrazol-3-yl)carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(5-methyl-1-propan-2-yl-pyrazol-3-yl)carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(1-isopropyl-5-methyl-pyrazole-3-carbonyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(5-methyl-1-propan-2-yl-3-pyrazolyl)-oxomethyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1-isopropyl-5-methyl-pyrazole-3-carbonyl)imino-6-mesyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H22N4O5S2 MolecularWeight: 450.53178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C)C)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC(=O)OC

Isomeric SMILES

CC1=CC(=NN1C(C)C)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC(=O)OC

InChI

InChI=1S/C19H22N4O5S2/c1-11(2)23-12(3)8-14(21-23)18(25)20-19-22(10-17(24)28-4)15-7-6-13(30(5,26)27)9-16(15)29-19/h6-9,11H,10H2,1-5H3