ethyl 4-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-5-methanoyl-3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylate

Systemtic Name: ethyl 4-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-5-methanoyl-3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: ethyl 4-(2-ethoxy-2-oxo-ethyl)sulfanyl-5-formyl-3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylate CAS Name: 4-[(2-ethoxy-2-oxoethyl)thio]-5-formyl-3-(methylthio)-6,7-dihydro-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-ethoxy-2-oxoethyl)sulfanyl-5-formyl-3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylate Traditional Name: 4-[(2-ethoxy-2-keto-ethyl)thio]-5-formyl-3-(methylthio)-6,7-dihydroisobenzothiophene-1-carboxylic acid ethyl ester Formula: C17H20O5S3 MolecularWeight: 400.5327

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(CCC2=C(SC(=C21)SC)C(=O)OCC)C=O

Isomeric SMILES

CCOC(=O)CSC1=C(CCC2=C(SC(=C21)SC)C(=O)OCC)C=O

InChI

InChI=1S/C17H20O5S3/c1-4-21-12(19)9-24-14-10(8-18)6-7-11-13(14)17(23-3)25-15(11)16(20)22-5-2/h8H,4-7,9H2,1-3H3