[(3S,4R)-4-cyclohexyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-3-yl] benzoate

Systemtic Name: [(3S,4R)-4-cyclohexyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-3-yl] benzoate Openeye Name: [(3S,4R)-4-cyclohexyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl] benzoate CAS Name: benzoic acid [(3S,4R)-4-cyclohexyl-1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-3-yl] ester IUPAC Name: [(3S,4R)-4-cyclohexyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl] benzoate Traditional Name: benzoic acid [(3S,4R)-4-cyclohexyl-1,1-diketo-3,4-dihydro-2H-thiochromen-3-yl] ester Formula: C22H24O4S MolecularWeight: 384.48856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2C(CS(=O)(=O)C3=CC=CC=C23)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)[C@H]2[C@@H](CS(=O)(=O)C3=CC=CC=C23)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H24O4S/c23-22(17-11-5-2-6-12-17)26-19-15-27(24,25)20-14-8-7-13-18(20)21(19)16-9-3-1-4-10-16/h2,5-8,11-14,16,19,21H,1,3-4,9-10,15H2/t19-,21-/m1/s1