[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C17H19N3O5S MolecularWeight: 377.41486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1=NOC=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)OCC(=O)NC1=NOC=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H19N3O5S/c1-26-10-8-13(18-16(22)12-5-3-2-4-6-12)17(23)24-11-15(21)19-14-7-9-25-20-14/h2-7,9,13H,8,10-11H2,1H3,(H,18,22)(H,19,20,21)