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

Systemtic Name: ethyl 4-methyl-2-[(4-methylsulfanyl-3-nitro-phenyl)carbonyl-pentyl-amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[(4-methylsulfanyl-3-nitro-benzoyl)-pentyl-amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[[4-(methylthio)-3-nitrophenyl]-oxomethyl]-pentylamino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(4-methylsulfanyl-3-nitrobenzoyl)-pentylamino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[amyl-[4-(methylthio)-3-nitro-benzoyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S2/c1-5-7-8-11-22(20-21-13(3)17(30-20)19(25)28-6-2)18(24)14-9-10-16(29-4)15(12-14)23(26)27/h9-10,12H,5-8,11H2,1-4H3