[2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-prop-2-enyl-amino]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate

Systemtic Name: [2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-prop-2-enyl-amino]-2-oxidanylidene-ethyl] 3,3-dimethylbutanoate Openeye Name: [2-[allyl-[4-(4-nitrophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-[[4-(4-nitrophenyl)-2-thiazolyl]-prop-2-enylamino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-prop-2-enylamino]-2-oxoethyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-[allyl-[4-(4-nitrophenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C20H23N3O5S MolecularWeight: 417.47872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OCC(=O)N(CC=C)C1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CC(=O)OCC(=O)N(CC=C)C1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-5-10-22(17(24)12-28-18(25)11-20(2,3)4)19-21-16(13-29-19)14-6-8-15(9-7-14)23(26)27/h5-9,13H,1,10-12H2,2-4H3