(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 1-(phenylsulfonyl)cyclopentane-1-carboxylate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 1-(phenylsulfonyl)cyclopentane-1-carboxylate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl 1-(benzenesulfonyl)cyclopentanecarboxylate CAS Name: 1-(benzenesulfonyl)-1-cyclopentanecarboxylic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl 1-(benzenesulfonyl)cyclopentane-1-carboxylate Traditional Name: 1-besylcyclopentanecarboxylic acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C24H23ClO6S MolecularWeight: 474.95382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3(CCCC3)S(=O)(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3(CCCC3)S(=O)(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C24H23ClO6S/c1-2-16-12-21-19(14-20(16)25)17(13-22(26)31-21)15-30-23(27)24(10-6-7-11-24)32(28,29)18-8-4-3-5-9-18/h3-5,8-9,12-14H,2,6-7,10-11,15H2,1H3