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

Systemtic Name: ethyl 4-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfinylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfinylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-methyl-5-phenyl-2-imidazolyl)sulfinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1-methyl-5-phenylimidazol-2-yl)sulfinylacetyl]amino]benzoate Traditional Name: 4-[[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfinylacetyl]amino]benzoic acid ethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-3-28-20(26)16-9-11-17(12-10-16)23-19(25)14-29(27)21-22-13-18(24(21)2)15-7-5-4-6-8-15/h4-13H,3,14H2,1-2H3,(H,23,25)