[2-ethyl-4-[[(4Z)-4-methoxyimino-5-methyl-1,1-bis(oxidanylidene)-2,3-dihydrothiochromen-6-yl]carbonyl]pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-ethyl-4-[[(4Z)-4-methoxyimino-5-methyl-1,1-bis(oxidanylidene)-2,3-dihydrothiochromen-6-yl]carbonyl]pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [2-ethyl-4-[(4Z)-4-methoxyimino-5-methyl-1,1-dioxo-2,3-dihydrothiochromene-6-carbonyl]pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-ethyl-4-[[(4Z)-4-methoxyimino-5-methyl-1,1-dioxo-2,3-dihydro-1-benzothiopyran-6-yl]-oxomethyl]-3-pyrazolyl] ester IUPAC Name: [2-ethyl-4-[(4Z)-4-methoxyimino-5-methyl-1,1-dioxo-2,3-dihydrothiochromene-6-carbonyl]pyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(4Z)-1,1-diketo-5-methyl-4-methyloximino-2,3-dihydrothiochromene-6-carbonyl]-2-ethyl-pyrazol-3-yl] ester Formula: C24H25N3O7S2 MolecularWeight: 531.6012

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CCC3=NOC)C)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C(=C(C=N1)C(=O)C2=C(C\3=C(C=C2)S(=O)(=O)CC/C3=N/OC)C)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H25N3O7S2/c1-5-27-24(34-36(31,32)17-8-6-15(2)7-9-17)19(14-25-27)23(28)18-10-11-21-22(16(18)3)20(26-33-4)12-13-35(21,29)30/h6-11,14H,5,12-13H2,1-4H3/b26-20-