2-[2,3-bis(phenylcarbonylsulfanyl)propanoylamino]ethanoic acid

Systemtic Name: 2-[2,3-bis(phenylcarbonylsulfanyl)propanoylamino]ethanoic acid Openeye Name: 2-[2,3-bis(benzoylsulfanyl)propanoylamino]acetic acid CAS Name: 2-[[2,3-bis(benzoylthio)-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[2,3-bis(benzoylsulfanyl)propanoylamino]acetic acid Traditional Name: 2-[2,3-bis(benzoylthio)propanoylamino]acetic acid Formula: C19H17NO5S2 MolecularWeight: 403.47198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCC(C(=O)NCC(=O)O)SC(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCC(C(=O)NCC(=O)O)SC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H17NO5S2/c21-16(22)11-20-17(23)15(27-19(25)14-9-5-2-6-10-14)12-26-18(24)13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,20,23)(H,21,22)