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

Systemtic Name: [2-ethyl-4-[(4-methoxy-5,8-dimethyl-3,4-dihydro-2H-thiochromen-6-yl)carbonyl]pyrazol-3-yl] 4-chloranylbenzenesulfonate Openeye Name: [2-ethyl-4-(4-methoxy-5,8-dimethyl-thiochromane-6-carbonyl)pyrazol-3-yl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [2-ethyl-4-[(4-methoxy-5,8-dimethyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)-oxomethyl]-3-pyrazolyl] ester IUPAC Name: [2-ethyl-4-(4-methoxy-5,8-dimethyl-3,4-dihydro-2H-thiochromene-6-carbonyl)pyrazol-3-yl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [2-ethyl-4-(4-methoxy-5,8-dimethyl-thiochroman-6-carbonyl)pyrazol-3-yl] ester Formula: C24H25ClN2O5S2 MolecularWeight: 521.0487

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H25ClN2O5S2/c1-5-27-24(32-34(29,30)17-8-6-16(25)7-9-17)19(13-26-27)22(28)18-12-14(2)23-21(15(18)3)20(31-4)10-11-33-23/h6-9,12-13,20H,5,10-11H2,1-4H3