[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 1-oxidanylidene-3,4-dihydroisochromene-3-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 1-oxoisochromane-3-carboxylate CAS Name: 1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 1-oxo-3,4-dihydroisochromene-3-carboxylate Traditional Name: 1-ketoisochroman-3-carboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C20H18O5S2 MolecularWeight: 402.48392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C20H18O5S2/c1-23-16-11-13(20-26-8-9-27-20)6-7-15(16)24-19(22)17-10-12-4-2-3-5-14(12)18(21)25-17/h2-7,11,17,20H,8-10H2,1H3