ethyl 4-methyl-2-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]thiazole-5-carboxylate CAS Name: 4-methyl-2-[4-(4-methyl-1-piperazinyl)-3-nitrophenyl]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[4-(4-methylpiperazino)-3-nitro-phenyl]thiazole-5-carboxylic acid ethyl ester Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H22N4O4S/c1-4-26-18(23)16-12(2)19-17(27-16)13-5-6-14(15(11-13)22(24)25)21-9-7-20(3)8-10-21/h5-6,11H,4,7-10H2,1-3H3