2-[3,4-bis(2-methylpropanoylamino)phenyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanoic acid

Systemtic Name: 2-[3,4-bis(2-methylpropanoylamino)phenyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanoic acid Openeye Name: 2-[3,4-bis(2-methylpropanoylamino)phenyl]-2-oxazol-2-ylsulfanyl-acetic acid CAS Name: 2-[3,4-bis[(2-methyl-1-oxopropyl)amino]phenyl]-2-(2-oxazolylthio)acetic acid IUPAC Name: 2-[3,4-bis(2-methylpropanoylamino)phenyl]-2-(1,3-oxazol-2-ylsulfanyl)acetic acid Traditional Name: 2-[3,4-bis(isobutyrylamino)phenyl]-2-(oxazol-2-ylthio)acetic acid Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C=C(C=C1)C(C(=O)O)SC2=NC=CO2)NC(=O)C(C)C

Isomeric SMILES

CC(C)C(=O)NC1=C(C=C(C=C1)C(C(=O)O)SC2=NC=CO2)NC(=O)C(C)C

InChI

InChI=1S/C19H23N3O5S/c1-10(2)16(23)21-13-6-5-12(9-14(13)22-17(24)11(3)4)15(18(25)26)28-19-20-7-8-27-19/h5-11,15H,1-4H3,(H,21,23)(H,22,24)(H,25,26)