methyl 6-methylsulfanyl-8-phenyl-3,4-dihydro-1H-isothiochromene-5-carboxylate

Systemtic Name: methyl 6-methylsulfanyl-8-phenyl-3,4-dihydro-1H-isothiochromene-5-carboxylate Openeye Name: methyl 6-methylsulfanyl-8-phenyl-isothiochromane-5-carboxylate CAS Name: 6-(methylthio)-8-phenyl-3,4-dihydro-1H-2-benzothiopyran-5-carboxylic acid methyl ester IUPAC Name: methyl 6-methylsulfanyl-8-phenyl-3,4-dihydro-1H-isothiochromene-5-carboxylate Traditional Name: 6-(methylthio)-8-phenyl-isothiochroman-5-carboxylic acid methyl ester Formula: C18H18O2S2 MolecularWeight: 330.46432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C2=C1CCSC2)C3=CC=CC=C3)SC

Isomeric SMILES

COC(=O)C1=C(C=C(C2=C1CCSC2)C3=CC=CC=C3)SC

InChI

InChI=1S/C18H18O2S2/c1-20-18(19)17-13-8-9-22-11-15(13)14(10-16(17)21-2)12-6-4-3-5-7-12/h3-7,10H,8-9,11H2,1-2H3