3-(2-ethoxy-2-oxidanylidene-ethanoyl)sulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-(2-ethoxy-2-oxidanylidene-ethanoyl)sulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-(2-ethoxy-2-oxo-acetyl)sulfanyl-propanoic acid CAS Name: 3-[(2-ethoxy-1,2-dioxoethyl)thio]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-(2-ethoxy-2-oxoacetyl)sulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-(ethoxalylthio)propionic acid Formula: C15H17NO7S MolecularWeight: 355.36298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)SCC(C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(=O)SCC(C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C15H17NO7S/c1-2-22-13(19)14(20)24-9-11(12(17)18)16-15(21)23-8-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,16,21)(H,17,18)