ethyl 5-(4-chlorophenyl)-3-(2-imidazol-1-ylethanoylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 5-(4-chlorophenyl)-3-(2-imidazol-1-ylethanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 5-(4-chlorophenyl)-3-[(2-imidazol-1-ylacetyl)amino]thiophene-2-carboxylate CAS Name: 5-(4-chlorophenyl)-3-[[2-(1-imidazolyl)-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorophenyl)-3-[(2-imidazol-1-ylacetyl)amino]thiophene-2-carboxylate Traditional Name: 5-(4-chlorophenyl)-3-[(2-imidazol-1-ylacetyl)amino]thiophene-2-carboxylic acid ethyl ester Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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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=C3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)CN3C=CN=C3

InChI

InChI=1S/C18H16ClN3O3S/c1-2-25-18(24)17-14(21-16(23)10-22-8-7-20-11-22)9-15(26-17)12-3-5-13(19)6-4-12/h3-9,11H,2,10H2,1H3,(H,21,23)