ethyl 4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-(m-tolyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-(3-methylphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(m-tolyl)imidazol-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C3=CC=CC(=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C3=CC=CC(=C3)C

InChI

InChI=1S/C21H21N3O3S/c1-3-27-20(26)16-7-9-17(10-8-16)23-19(25)14-28-21-22-11-12-24(21)18-6-4-5-15(2)13-18/h4-13H,3,14H2,1-2H3,(H,23,25)