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

Systemtic Name: [2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-prop-2-enyl-amino]-2-oxidanylidene-ethyl] 2-methylpropanoate Openeye Name: [2-[allyl-[4-(4-nitrophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 2-methylpropanoate CAS Name: 2-methylpropanoic 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] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [2-[allyl-[4-(4-nitrophenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C18H19N3O5S MolecularWeight: 389.42556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c1-4-9-20(16(22)10-26-17(23)12(2)3)18-19-15(11-27-18)13-5-7-14(8-6-13)21(24)25/h4-8,11-12H,1,9-10H2,2-3H3