(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H20O4S2 MolecularWeight: 412.5218

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C22H20O4S2/c1-2-14-3-8-18-17(12-20(23)26-19(18)11-14)13-25-21(24)15-4-6-16(7-5-15)22-27-9-10-28-22/h3-8,11-12,22H,2,9-10,13H2,1H3