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

Systemtic Name: ethyl 5-acetamido-4-oxidanylidene-3-propan-2-ylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Openeye Name: ethyl 5-acetamido-3-isopropylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate CAS Name: 5-acetamido-4-oxo-3-(propan-2-ylthio)-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid ethyl ester IUPAC Name: ethyl 5-acetamido-4-oxo-3-propan-2-ylsulfanyl-6,7-dihydro-5H-2-benzothiophene-1-carboxylate Traditional Name: 5-acetamido-3-(isopropylthio)-4-keto-6,7-dihydro-5H-isobenzothiophene-1-carboxylic acid ethyl ester Formula: C16H21NO4S2 MolecularWeight: 355.47224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4S2/c1-5-21-15(20)14-10-6-7-11(17-9(4)18)13(19)12(10)16(23-14)22-8(2)3/h8,11H,5-7H2,1-4H3,(H,17,18)