methyl 4-[2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-(2-methoxyphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(2-methoxyphenyl)imidazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=CN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1N2C=CN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H19N3O4S/c1-26-17-6-4-3-5-16(17)23-12-11-21-20(23)28-13-18(24)22-15-9-7-14(8-10-15)19(25)27-2/h3-12H,13H2,1-2H3,(H,22,24)