ethyl (6R)-6-(4-methylphenyl)-3-methylsulfanyl-4-oxidanylidene-6,7-dihydro-5H-2-benzothiophene-1-carboxylate

Systemtic Name: ethyl (6R)-6-(4-methylphenyl)-3-methylsulfanyl-4-oxidanylidene-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Openeye Name: ethyl (6R)-3-methylsulfanyl-4-oxo-6-(p-tolyl)-6,7-dihydro-5H-2-benzothiophene-1-carboxylate CAS Name: (6R)-6-(4-methylphenyl)-3-(methylthio)-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-(4-methylphenyl)-3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Traditional Name: (6R)-4-keto-3-(methylthio)-6-(p-tolyl)-6,7-dihydro-5H-isobenzothiophene-1-carboxylic acid ethyl ester Formula: C19H20O3S2 MolecularWeight: 360.4903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CC(CC(=O)C2=C(S1)SC)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C2C[C@H](CC(=O)C2=C(S1)SC)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H20O3S2/c1-4-22-18(21)17-14-9-13(12-7-5-11(2)6-8-12)10-15(20)16(14)19(23-3)24-17/h5-8,13H,4,9-10H2,1-3H3/t13-/m1/s1