butyl 2-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[(2-phenyl-2-phenylsulfanyl-acetyl)amino]benzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[(2-phenyl-2-phenylsulfanylacetyl)amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-phenyl-2-(phenylthio)acetyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C27H25NO3S2 MolecularWeight: 475.6223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C27H25NO3S2/c1-2-3-18-31-27(30)23-21-16-10-11-17-22(21)33-26(23)28-25(29)24(19-12-6-4-7-13-19)32-20-14-8-5-9-15-20/h4-17,24H,2-3,18H2,1H3,(H,28,29)