ethyl 2-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetyl]amino]-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[[2-[(4-carbamoyl-2-nitrophenyl)thio]-1-oxoethyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-carbamoyl-2-nitrophenyl)sulfanylacetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[(4-carbamoyl-2-nitro-phenyl)thio]acetyl]amino]-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H18N4O6S2 MolecularWeight: 486.52082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H18N4O6S2/c1-2-31-20(28)18-17(12-6-4-3-5-7-12)24-21(33-18)23-16(26)11-32-15-9-8-13(19(22)27)10-14(15)25(29)30/h3-10H,2,11H2,1H3,(H2,22,27)(H,23,24,26)