ethyl 5-(2-chloranylethanoylamino)-2-methylsulfanyl-3-(thiophen-2-ylmethyl)imidazole-4-carboxylate

Systemtic Name: ethyl 5-(2-chloranylethanoylamino)-2-methylsulfanyl-3-(thiophen-2-ylmethyl)imidazole-4-carboxylate Openeye Name: ethyl 5-[(2-chloroacetyl)amino]-2-methylsulfanyl-3-(2-thienylmethyl)imidazole-4-carboxylate CAS Name: 5-[(2-chloro-1-oxoethyl)amino]-2-(methylthio)-3-(thiophen-2-ylmethyl)-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-chloroacetyl)amino]-2-methylsulfanyl-3-(thiophen-2-ylmethyl)imidazole-4-carboxylate Traditional Name: 5-[(2-chloroacetyl)amino]-2-(methylthio)-3-(2-thenyl)imidazole-4-carboxylic acid ethyl ester Formula: C14H16ClN3O3S2 MolecularWeight: 373.87814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O3S2/c1-3-21-13(20)11-12(16-10(19)7-15)17-14(22-2)18(11)8-9-5-4-6-23-9/h4-6H,3,7-8H2,1-2H3,(H,16,19)