ethyl 4-methyl-2-[3-[(2-nitrophenyl)amino]propanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[3-[(2-nitrophenyl)amino]propanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[3-(2-nitroanilino)propanoylamino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[3-(2-nitroanilino)-1-oxopropyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[3-(2-nitroanilino)propanoylamino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[3-(2-nitroanilino)propanoylamino]thiazole-5-carboxylic acid ethyl ester Formula: C16H18N4O5S MolecularWeight: 378.40292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C16H18N4O5S/c1-3-25-15(22)14-10(2)18-16(26-14)19-13(21)8-9-17-11-6-4-5-7-12(11)20(23)24/h4-7,17H,3,8-9H2,1-2H3,(H,18,19,21)