methyl 2-[2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[3-(2-chlorobenzyl)-2-(propylthio)imidazol-4-yl]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C25H28ClN3O3S MolecularWeight: 486.02612

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)CC(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCSC1=NC=C(N1CC2=CC=CC=C2Cl)CC(=O)NC(CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H28ClN3O3S/c1-3-13-33-25-27-16-20(29(25)17-19-11-7-8-12-21(19)26)15-23(30)28-22(24(31)32-2)14-18-9-5-4-6-10-18/h4-12,16,22H,3,13-15,17H2,1-2H3,(H,28,30)