methyl 3-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-[[1-(4-methoxyphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-[[1-(4-methoxyphenyl)imidazol-2-yl]thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=CN=C2SCC(=O)NC(CC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2C=CN=C2SCC(=O)NC(CC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4S/c1-28-18-10-8-17(9-11-18)25-13-12-23-22(25)30-15-20(26)24-19(14-21(27)29-2)16-6-4-3-5-7-16/h3-13,19H,14-15H2,1-2H3,(H,24,26)