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

Systemtic Name: ethyl 4-oxidanylidene-3-(phenylmethylsulfanyl)-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Openeye Name: ethyl 3-benzylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate CAS Name: 4-oxo-3-(phenylmethylthio)-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Traditional Name: 3-(benzylthio)-4-keto-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=C2CCCC(=O)C2=C(S1)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C2CCCC(=O)C2=C(S1)SCC3=CC=CC=C3

InChI

InChI=1S/C18H18O3S2/c1-2-21-17(20)16-13-9-6-10-14(19)15(13)18(23-16)22-11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3