[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C13H12N2O5S MolecularWeight: 308.30978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)CCC(=O)OCC(=O)NC2=NOC=C2

Isomeric SMILES

C1=CSC(=C1)C(=O)CCC(=O)OCC(=O)NC2=NOC=C2

InChI

InChI=1S/C13H12N2O5S/c16-9(10-2-1-7-21-10)3-4-13(18)19-8-12(17)14-11-5-6-20-15-11/h1-2,5-7H,3-4,8H2,(H,14,15,17)