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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)NC2=CC=CC(=C2)C(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)NC2=CC=CC(=C2)C(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C25H25NO4S/c27-24(21(18-31)16-19-8-3-1-4-9-19)26-22-11-7-10-20(17-22)25(28)30-15-14-29-23-12-5-2-6-13-23/h1-13,17,21,31H,14-16,18H2,(H,26,27)