ethyl 5-[2,2-bis(chloranyl)ethanoylamino]-2-methylsulfanyl-3-(thiophen-2-ylmethyl)imidazole-4-carboxylate

Systemtic Name: ethyl 5-[2,2-bis(chloranyl)ethanoylamino]-2-methylsulfanyl-3-(thiophen-2-ylmethyl)imidazole-4-carboxylate Openeye Name: ethyl 5-[(2,2-dichloroacetyl)amino]-2-methylsulfanyl-3-(2-thienylmethyl)imidazole-4-carboxylate CAS Name: 5-[(2,2-dichloro-1-oxoethyl)amino]-2-(methylthio)-3-(thiophen-2-ylmethyl)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2,2-dichloroacetyl)amino]-2-methylsulfanyl-3-(thiophen-2-ylmethyl)imidazole-4-carboxylate Traditional Name: 5-[(2,2-dichloroacetyl)amino]-2-(methylthio)-3-(2-thenyl)imidazole-4-carboxylic acid ethyl ester Formula: C14H15Cl2N3O3S2 MolecularWeight: 408.3232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N1CC2=CC=CS2)SC)NC(=O)C(Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(N=C(N1CC2=CC=CS2)SC)NC(=O)C(Cl)Cl

InChI

InChI=1S/C14H15Cl2N3O3S2/c1-3-22-13(21)9-11(17-12(20)10(15)16)18-14(23-2)19(9)7-8-5-4-6-24-8/h4-6,10H,3,7H2,1-2H3,(H,17,20)