methyl 6-methylsulfanyl-8-thiophen-2-yl-3,4-dihydro-1H-isothiochromene-5-carboxylate

Systemtic Name: methyl 6-methylsulfanyl-8-thiophen-2-yl-3,4-dihydro-1H-isothiochromene-5-carboxylate Openeye Name: methyl 6-methylsulfanyl-8-(2-thienyl)isothiochromane-5-carboxylate CAS Name: 6-(methylthio)-8-thiophen-2-yl-3,4-dihydro-1H-2-benzothiopyran-5-carboxylic acid methyl ester IUPAC Name: methyl 6-methylsulfanyl-8-thiophen-2-yl-3,4-dihydro-1H-isothiochromene-5-carboxylate Traditional Name: 6-(methylthio)-8-(2-thienyl)isothiochroman-5-carboxylic acid methyl ester Formula: C16H16O2S3 MolecularWeight: 336.49204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C2=C1CCSC2)C3=CC=CS3)SC

Isomeric SMILES

COC(=O)C1=C(C=C(C2=C1CCSC2)C3=CC=CS3)SC

InChI

InChI=1S/C16H16O2S3/c1-18-16(17)15-10-5-7-20-9-12(10)11(8-14(15)19-2)13-4-3-6-21-13/h3-4,6,8H,5,7,9H2,1-2H3