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

Systemtic Name: ethyl (6R)-6-(4-methoxyphenyl)-4-oxidanylidene-3-(phenylmethylsulfanyl)-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Openeye Name: ethyl (6R)-3-benzylsulfanyl-6-(4-methoxyphenyl)-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate CAS Name: (6R)-6-(4-methoxyphenyl)-4-oxo-3-(phenylmethylthio)-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-3-benzylsulfanyl-6-(4-methoxyphenyl)-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Traditional Name: (6R)-3-(benzylthio)-4-keto-6-(4-methoxyphenyl)-6,7-dihydro-5H-isobenzothiophene-1-carboxylic acid ethyl ester Formula: C25H24O4S2 MolecularWeight: 452.58566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CC(CC(=O)C2=C(S1)SCC3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=C2C[C@H](CC(=O)C2=C(S1)SCC3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H24O4S2/c1-3-29-24(27)23-20-13-18(17-9-11-19(28-2)12-10-17)14-21(26)22(20)25(31-23)30-15-16-7-5-4-6-8-16/h4-12,18H,3,13-15H2,1-2H3/t18-/m1/s1