ethyl 2-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoyl-pentyl-amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoyl-pentyl-amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetyl]-pentyl-amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[(4-carbamoyl-2-nitrophenyl)thio]-1-oxoethyl]-pentylamino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-carbamoyl-2-nitrophenyl)sulfanylacetyl]-pentylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[amyl-[2-[(4-carbamoyl-2-nitro-phenyl)thio]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H26N4O6S2 MolecularWeight: 494.58434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O6S2/c1-4-6-7-10-24(21-23-13(3)18(33-21)20(28)31-5-2)17(26)12-32-16-9-8-14(19(22)27)11-15(16)25(29)30/h8-9,11H,4-7,10,12H2,1-3H3,(H2,22,27)