ethyl 4-[2-[5-(4-chlorophenyl)-1-methyl-imidazol-2-yl]sulfinylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[5-(4-chlorophenyl)-1-methyl-imidazol-2-yl]sulfinylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[5-(4-chlorophenyl)-1-methyl-imidazol-2-yl]sulfinylacetyl]amino]benzoate CAS Name: 4-[[2-[[5-(4-chlorophenyl)-1-methyl-2-imidazolyl]sulfinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[5-(4-chlorophenyl)-1-methylimidazol-2-yl]sulfinylacetyl]amino]benzoate Traditional Name: 4-[[2-[5-(4-chlorophenyl)-1-methyl-imidazol-2-yl]sulfinylacetyl]amino]benzoic acid ethyl ester Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CS(=O)C2=NC=C(N2C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CS(=O)C2=NC=C(N2C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN3O4S/c1-3-29-20(27)15-6-10-17(11-7-15)24-19(26)13-30(28)21-23-12-18(25(21)2)14-4-8-16(22)9-5-14/h4-12H,3,13H2,1-2H3,(H,24,26)