[2-ethyl-4-[(4-methoxy-5,8-dimethyl-1-oxidanylidene-3,4-dihydro-2H-thiochromen-6-yl)carbonyl]pyrazol-3-yl] 4-chloranylbenzenesulfonate

Systemtic Name: [2-ethyl-4-[(4-methoxy-5,8-dimethyl-1-oxidanylidene-3,4-dihydro-2H-thiochromen-6-yl)carbonyl]pyrazol-3-yl] 4-chloranylbenzenesulfonate Openeye Name: [2-ethyl-4-(4-methoxy-5,8-dimethyl-1-oxo-3,4-dihydro-2H-thiochromene-6-carbonyl)pyrazol-3-yl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [2-ethyl-4-[(4-methoxy-5,8-dimethyl-1-oxo-3,4-dihydro-2H-1-benzothiopyran-6-yl)-oxomethyl]-3-pyrazolyl] ester IUPAC Name: [2-ethyl-4-(4-methoxy-5,8-dimethyl-1-oxo-3,4-dihydro-2H-thiochromene-6-carbonyl)pyrazol-3-yl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [2-ethyl-4-(1-keto-4-methoxy-5,8-dimethyl-3,4-dihydro-2H-thiochromene-6-carbonyl)pyrazol-3-yl] ester Formula: C24H25ClN2O6S2 MolecularWeight: 537.0481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN2O6S2/c1-5-27-24(33-35(30,31)17-8-6-16(25)7-9-17)19(13-26-27)22(28)18-12-14(2)23-21(15(18)3)20(32-4)10-11-34(23)29/h6-9,12-13,20H,5,10-11H2,1-4H3