[3-oxidanylidene-3-[(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]-2-(phenylmethyl)propyl]sulfanylmethanoic acid

Systemtic Name: [3-oxidanylidene-3-[(2-oxidanylidene-2-phenylmethoxy-ethyl)amino]-2-(phenylmethyl)propyl]sulfanylmethanoic acid Openeye Name: [2-benzyl-3-[(2-benzyloxy-2-oxo-ethyl)amino]-3-oxo-propyl]sulfanylformic acid CAS Name: [[3-oxo-3-[(2-oxo-2-phenylmethoxyethyl)amino]-2-(phenylmethyl)propyl]thio]formic acid IUPAC Name: [2-benzyl-3-oxo-3-[(2-oxo-2-phenylmethoxyethyl)amino]propyl]sulfanylformic acid Traditional Name: [[3-[(2-benzoxy-2-keto-ethyl)amino]-2-benzyl-3-keto-propyl]thio]formic acid Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSC(=O)O)C(=O)NCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(CSC(=O)O)C(=O)NCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H21NO5S/c22-18(26-13-16-9-5-2-6-10-16)12-21-19(23)17(14-27-20(24)25)11-15-7-3-1-4-8-15/h1-10,17H,11-14H2,(H,21,23)(H,24,25)