methyl 3-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-[[1-(2,3-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C=CN=C2SCC(=O)NC(CC(=O)OC)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C=CN=C2SCC(=O)NC(CC(=O)OC)C3=CC=CC=C3)C

InChI

InChI=1S/C23H25N3O3S/c1-16-8-7-11-20(17(16)2)26-13-12-24-23(26)30-15-21(27)25-19(14-22(28)29-3)18-9-5-4-6-10-18/h4-13,19H,14-15H2,1-3H3,(H,25,27)