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

Systemtic Name: ethyl 6-(4-methylphenyl)-4-oxidanylidene-3-(phenylmethylsulfanyl)-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Openeye Name: ethyl 3-benzylsulfanyl-4-oxo-6-(p-tolyl)-6,7-dihydro-5H-2-benzothiophene-1-carboxylate CAS Name: 6-(4-methylphenyl)-4-oxo-3-(phenylmethylthio)-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-6-(4-methylphenyl)-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Traditional Name: 3-(benzylthio)-4-keto-6-(p-tolyl)-6,7-dihydro-5H-isobenzothiophene-1-carboxylic acid ethyl ester Formula: C25H24O3S2 MolecularWeight: 436.58626

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H24O3S2/c1-3-28-24(27)23-20-13-19(18-11-9-16(2)10-12-18)14-21(26)22(20)25(30-23)29-15-17-7-5-4-6-8-17/h4-12,19H,3,13-15H2,1-2H3