ethyl 2-acetamido-7-(diethanoylamino)-6-phenylsulfanyl-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-acetamido-7-(diethanoylamino)-6-phenylsulfanyl-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-7-(diacetylamino)-6-phenylsulfanyl-benzothiophene-3-carboxylate CAS Name: 2-acetamido-7-(diacetylamino)-6-(phenylthio)-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-7-(diacetylamino)-6-phenylsulfanyl-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-7-(diacetylamino)-6-(phenylthio)benzothiophene-3-carboxylic acid ethyl ester Formula: C23H22N2O5S2 MolecularWeight: 470.56118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2N(C(=O)C)C(=O)C)SC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2N(C(=O)C)C(=O)C)SC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C23H22N2O5S2/c1-5-30-23(29)19-17-11-12-18(31-16-9-7-6-8-10-16)20(25(14(3)27)15(4)28)21(17)32-22(19)24-13(2)26/h6-12H,5H2,1-4H3,(H,24,26)