[2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxidanylidene-ethyl] 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (2-indan-5-yl-2-oxo-ethyl) 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (2-indan-5-yl-2-keto-ethyl) ester Formula: C21H20O3S2 MolecularWeight: 384.5117

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)COC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)COC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C21H20O3S2/c22-19(18-9-4-14-2-1-3-17(14)12-18)13-24-20(23)15-5-7-16(8-6-15)21-25-10-11-26-21/h4-9,12,21H,1-3,10-11,13H2