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

Systemtic Name: ethyl 4-[[2-phenyl-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-ethanoyl]amino]benzoate Openeye Name: ethyl 4-[[2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]-2-phenylethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-phenyl-2-[[3-[(2-phenylacetyl)amino]phenyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C31H28N2O4S MolecularWeight: 524.63002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C31H28N2O4S/c1-2-37-31(36)24-16-18-25(19-17-24)33-30(35)29(23-12-7-4-8-13-23)38-27-15-9-14-26(21-27)32-28(34)20-22-10-5-3-6-11-22/h3-19,21,29H,2,20H2,1H3,(H,32,34)(H,33,35)