ethyl 2-acetamido-7-(oxidanylamino)-6-phenylsulfanyl-4,5-dihydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-acetamido-7-(oxidanylamino)-6-phenylsulfanyl-4,5-dihydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-7-(hydroxyamino)-6-phenylsulfanyl-4,5-dihydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-7-(hydroxyamino)-6-(phenylthio)-4,5-dihydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-7-(hydroxyamino)-6-phenylsulfanyl-4,5-dihydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-7-(hydroxyamino)-6-(phenylthio)-4,5-dihydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(=C2NO)SC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(=C2NO)SC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C19H20N2O4S2/c1-3-25-19(23)15-13-9-10-14(26-12-7-5-4-6-8-12)16(21-24)17(13)27-18(15)20-11(2)22/h4-8,21,24H,3,9-10H2,1-2H3,(H,20,22)