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

Systemtic Name: ethyl (6R)-3-methylsulfanyl-4-oxidanylidene-6-phenyl-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Openeye Name: ethyl (6R)-3-methylsulfanyl-4-oxo-6-phenyl-6,7-dihydro-5H-2-benzothiophene-1-carboxylate CAS Name: (6R)-3-(methylthio)-4-oxo-6-phenyl-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-3-methylsulfanyl-4-oxo-6-phenyl-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Traditional Name: (6R)-4-keto-3-(methylthio)-6-phenyl-6,7-dihydro-5H-isobenzothiophene-1-carboxylic acid ethyl ester Formula: C18H18O3S2 MolecularWeight: 346.46372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O3S2/c1-3-21-17(20)16-13-9-12(11-7-5-4-6-8-11)10-14(19)15(13)18(22-2)23-16/h4-8,12H,3,9-10H2,1-2H3/t12-/m1/s1