[4-[[(4Z)-8-chloranyl-4-methoxyimino-5-methyl-2,3-dihydrothiochromen-6-yl]carbonyl]-2-ethyl-pyrazol-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [4-[[(4Z)-8-chloranyl-4-methoxyimino-5-methyl-2,3-dihydrothiochromen-6-yl]carbonyl]-2-ethyl-pyrazol-3-yl] 4-methylbenzenesulfonate Openeye Name: [4-[(4Z)-8-chloro-4-methoxyimino-5-methyl-thiochromane-6-carbonyl]-2-ethyl-pyrazol-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[[(4Z)-8-chloro-4-methoxyimino-5-methyl-2,3-dihydro-1-benzothiopyran-6-yl]-oxomethyl]-2-ethyl-3-pyrazolyl] ester IUPAC Name: [4-[(4Z)-8-chloro-4-methoxyimino-5-methyl-2,3-dihydrothiochromene-6-carbonyl]-2-ethylpyrazol-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(4Z)-8-chloro-5-methyl-4-methyloximino-thiochroman-6-carbonyl]-2-ethyl-pyrazol-3-yl] ester Formula: C24H24ClN3O5S2 MolecularWeight: 534.04746

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C(=O)C2=CC(=C3C(=C2C)C(=NOC)CCS3)Cl)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C(=C(C=N1)C(=O)C2=CC(=C3C(=C2C)/C(=N\OC)/CCS3)Cl)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H24ClN3O5S2/c1-5-28-24(33-35(30,31)16-8-6-14(2)7-9-16)18(13-26-28)22(29)17-12-19(25)23-21(15(17)3)20(27-32-4)10-11-34-23/h6-9,12-13H,5,10-11H2,1-4H3/b27-20-