1-phenoxyethyl 3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoate

Systemtic Name: 1-phenoxyethyl 3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoate Openeye Name: 1-phenoxyethyl 3-[(2-benzyl-3-sulfanyl-propanoyl)amino]benzoate CAS Name: 3-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]benzoic acid 1-phenoxyethyl ester IUPAC Name: 1-phenoxyethyl 3-[(2-benzyl-3-sulfanylpropanoyl)amino]benzoate Traditional Name: 3-[(2-benzyl-3-mercapto-propanoyl)amino]benzoic acid 1-phenoxyethyl ester Formula: C25H25NO4S MolecularWeight: 435.5353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(OC1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)NC(=O)C(CC3=CC=CC=C3)CS

Isomeric SMILES

CC(OC1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)NC(=O)C(CC3=CC=CC=C3)CS

InChI

InChI=1S/C25H25NO4S/c1-18(29-23-13-6-3-7-14-23)30-25(28)20-11-8-12-22(16-20)26-24(27)21(17-31)15-19-9-4-2-5-10-19/h2-14,16,18,21,31H,15,17H2,1H3,(H,26,27)