2-[3,4-bis(propanoylamino)phenyl]-2-(1,3-oxazol-2-yl)-2-sulfanyl-ethanoic acid

Systemtic Name: 2-[3,4-bis(propanoylamino)phenyl]-2-(1,3-oxazol-2-yl)-2-sulfanyl-ethanoic acid Openeye Name: 2-[3,4-bis(propanoylamino)phenyl]-2-oxazol-2-yl-2-sulfanyl-acetic acid CAS Name: 2-[3,4-bis(1-oxopropylamino)phenyl]-2-mercapto-2-(2-oxazolyl)acetic acid IUPAC Name: 2-[3,4-bis(propanoylamino)phenyl]-2-(1,3-oxazol-2-yl)-2-sulfanylacetic acid Traditional Name: 2-(3,4-dipropionamidophenyl)-2-mercapto-2-oxazol-2-yl-acetic acid Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)C(C2=NC=CO2)(C(=O)O)S)NC(=O)CC

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)C(C2=NC=CO2)(C(=O)O)S)NC(=O)CC

InChI

InChI=1S/C17H19N3O5S/c1-3-13(21)19-11-6-5-10(9-12(11)20-14(22)4-2)17(26,16(23)24)15-18-7-8-25-15/h5-9,26H,3-4H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)