ethyl 4-[[2-(3-aminophenyl)sulfanyl-2-phenyl-ethanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-(3-aminophenyl)sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: ethyl 4-[[2-(3-aminophenyl)sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 4-[[2-[(3-aminophenyl)thio]-1-oxo-2-phenylethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-aminophenyl)sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-aminophenyl)thio]-2-phenyl-acetyl]amino]benzoic acid ethyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)N

InChI

InChI=1S/C23H22N2O3S/c1-2-28-23(27)17-11-13-19(14-12-17)25-22(26)21(16-7-4-3-5-8-16)29-20-10-6-9-18(24)15-20/h3-15,21H,2,24H2,1H3,(H,25,26)