[4-(1,3-dithiolan-2-yl)phenyl] 2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-(4-methyl-2-oxo-chromen-7-yl)oxyacetate CAS Name: 2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate Traditional Name: 2-(2-keto-4-methyl-chromen-7-yl)oxyacetic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C21H18O5S2 MolecularWeight: 414.49462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)OC3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)OC3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C21H18O5S2/c1-13-10-19(22)26-18-11-16(6-7-17(13)18)24-12-20(23)25-15-4-2-14(3-5-15)21-27-8-9-28-21/h2-7,10-11,21H,8-9,12H2,1H3