ethyl 5-(4-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-(4-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-(4-chlorophenyl)-3-[[2-(2-methylimidazol-1-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 5-(4-chlorophenyl)-3-[[2-(2-methyl-1-imidazolyl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)-3-[[2-(2-methylimidazol-1-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 5-(4-chlorophenyl)-3-[[2-(2-methylimidazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)CN3C=CN=C3C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)CN3C=CN=C3C

InChI

InChI=1S/C19H18ClN3O3S/c1-3-26-19(25)18-15(22-17(24)11-23-9-8-21-12(23)2)10-16(27-18)13-4-6-14(20)7-5-13/h4-10H,3,11H2,1-2H3,(H,22,24)