ethyl 5-acetamido-3-methylsulfanyl-4-oxidanylidene-6,7-dihydro-5H-2-benzothiophene-1-carboxylate

Systemtic Name: ethyl 5-acetamido-3-methylsulfanyl-4-oxidanylidene-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Openeye Name: ethyl 5-acetamido-3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate CAS Name: 5-acetamido-3-(methylthio)-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 5-acetamido-3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Traditional Name: 5-acetamido-4-keto-3-(methylthio)-6,7-dihydro-5H-isobenzothiophene-1-carboxylic acid ethyl ester Formula: C14H17NO4S2 MolecularWeight: 327.41908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO4S2/c1-4-19-13(18)12-8-5-6-9(15-7(2)16)11(17)10(8)14(20-3)21-12/h9H,4-6H2,1-3H3,(H,15,16)