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

Systemtic Name: [(3S,4R)-1,1-bis(oxidanylidene)-4-propan-2-yl-3,4-dihydro-2H-thiochromen-3-yl] benzoate Openeye Name: [(3S,4R)-4-isopropyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-3-yl] benzoate CAS Name: benzoic acid [(3S,4R)-1,1-dioxo-4-propan-2-yl-3,4-dihydro-2H-1-benzothiopyran-3-yl] ester IUPAC Name: [(3S,4R)-1,1-dioxo-4-propan-2-yl-3,4-dihydro-2H-thiochromen-3-yl] benzoate Traditional Name: benzoic acid [(3S,4R)-4-isopropyl-1,1-diketo-3,4-dihydro-2H-thiochromen-3-yl] ester Formula: C19H20O4S MolecularWeight: 344.4247

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(CS(=O)(=O)C2=CC=CC=C12)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H]1[C@@H](CS(=O)(=O)C2=CC=CC=C12)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20O4S/c1-13(2)18-15-10-6-7-11-17(15)24(21,22)12-16(18)23-19(20)14-8-4-3-5-9-14/h3-11,13,16,18H,12H2,1-2H3/t16-,18-/m1/s1