[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate

Systemtic Name: [1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate Openeye Name: [2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-methyl-2-(2-thienyl)thiazole-5-carboxylate CAS Name: 4-methyl-2-thiophen-2-yl-5-thiazolecarboxylic acid [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(2-thienyl)thiazole-5-carboxylic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C18H14ClN3O5S2 MolecularWeight: 451.90386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CS2)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CS2)C(=O)OC(C)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H14ClN3O5S2/c1-9-15(29-17(20-9)14-4-3-7-28-14)18(24)27-10(2)16(23)21-13-6-5-11(22(25)26)8-12(13)19/h3-8,10H,1-2H3,(H,21,23)