ethyl 3-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-6,7-dihydro-5H-2-benzothiophene-1-carboxylate

Systemtic Name: ethyl 3-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Openeye Name: ethyl 3-[(4-chlorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate CAS Name: 3-[(4-chlorophenyl)methylthio]-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-chlorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Traditional Name: 3-[(4-chlorobenzyl)thio]-4-keto-6,7-dihydro-5H-isobenzothiophene-1-carboxylic acid ethyl ester Formula: C18H17ClO3S2 MolecularWeight: 380.90878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClO3S2/c1-2-22-17(21)16-13-4-3-5-14(20)15(13)18(24-16)23-10-11-6-8-12(19)9-7-11/h6-9H,2-5,10H2,1H3