butyl 4-[[2-(3-acetamidophenyl)sulfanyl-2-phenyl-ethanoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-(3-acetamidophenyl)sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: butyl 4-[[2-(3-acetamidophenyl)sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 4-[[2-[(3-acetamidophenyl)thio]-1-oxo-2-phenylethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(3-acetamidophenyl)sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-acetamidophenyl)thio]-2-phenyl-acetyl]amino]benzoic acid butyl ester Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C

InChI

InChI=1S/C27H28N2O4S/c1-3-4-17-33-27(32)21-13-15-22(16-14-21)29-26(31)25(20-9-6-5-7-10-20)34-24-12-8-11-23(18-24)28-19(2)30/h5-16,18,25H,3-4,17H2,1-2H3,(H,28,30)(H,29,31)