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

Systemtic Name: ethyl (6S)-2-acetamido-7-oxidanylidene-6-thiocyanato-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6S)-2-acetamido-7-oxo-6-thiocyanato-5,6-dihydro-4H-benzothiophene-3-carboxylate CAS Name: (6S)-2-acetamido-7-oxo-6-thiocyanato-5,6-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-2-acetamido-7-oxo-6-thiocyanato-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-acetamido-7-keto-6-thiocyanato-5,6-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C14H14N2O4S2 MolecularWeight: 338.40196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2=O)SC#N)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@@H](C2=O)SC#N)NC(=O)C

InChI

InChI=1S/C14H14N2O4S2/c1-3-20-14(19)10-8-4-5-9(21-6-15)11(18)12(8)22-13(10)16-7(2)17/h9H,3-5H2,1-2H3,(H,16,17)/t9-/m0/s1