ethyl 4-chloranyl-5-methanoyl-3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylate

Systemtic Name: ethyl 4-chloranyl-5-methanoyl-3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: ethyl 4-chloro-5-formyl-3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylate CAS Name: 4-chloro-5-formyl-3-(methylthio)-6,7-dihydro-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 4-chloro-5-formyl-3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylate Traditional Name: 4-chloro-5-formyl-3-(methylthio)-6,7-dihydroisobenzothiophene-1-carboxylic acid ethyl ester Formula: C13H13ClO3S2 MolecularWeight: 316.82352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CCC(=C(C2=C(S1)SC)Cl)C=O

Isomeric SMILES

CCOC(=O)C1=C2CCC(=C(C2=C(S1)SC)Cl)C=O

InChI

InChI=1S/C13H13ClO3S2/c1-3-17-12(16)11-8-5-4-7(6-15)10(14)9(8)13(18-2)19-11/h6H,3-5H2,1-2H3