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

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(isoxazol-3-ylamino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C16H15N3O4S MolecularWeight: 345.373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OCC(=O)NC3=NOC=C3

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OCC(=O)NC3=NOC=C3

InChI

InChI=1S/C16H15N3O4S/c20-14(18-13-8-9-23-19-13)10-22-16(21)7-3-6-15-17-11-4-1-2-5-12(11)24-15/h1-2,4-5,8-9H,3,6-7,10H2,(H,18,19,20)