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

Systemtic Name: 2-[3,4-bis(butanoylamino)phenyl]-2-(1,3-oxazol-2-yl)-2-sulfanyl-ethanoic acid Openeye Name: 2-[3,4-bis(butanoylamino)phenyl]-2-oxazol-2-yl-2-sulfanyl-acetic acid CAS Name: 2-[3,4-bis(1-oxobutylamino)phenyl]-2-mercapto-2-(2-oxazolyl)acetic acid IUPAC Name: 2-[3,4-bis(butanoylamino)phenyl]-2-(1,3-oxazol-2-yl)-2-sulfanylacetic acid Traditional Name: 2-(3,4-dibutyramidophenyl)-2-mercapto-2-oxazol-2-yl-acetic acid Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S/c1-3-5-15(23)21-13-8-7-12(11-14(13)22-16(24)6-4-2)19(28,18(25)26)17-20-9-10-27-17/h7-11,28H,3-6H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)