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

Systemtic Name: methyl 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]-ethanoyl-amino]-3-phenyl-propanoate Openeye Name: methyl 2-[acetyl-[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]amino]-3-phenyl-propanoate CAS Name: 2-[acetyl-[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[acetyl-[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazol-4-yl]amino]-3-phenylpropanoate Traditional Name: 2-[acetyl-[3-(2-chlorobenzyl)-2-(propylthio)imidazol-4-yl]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)N(C(CC3=CC=CC=C3)C(=O)OC)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClN3O3S/c1-4-14-33-25-27-16-23(28(25)17-20-12-8-9-13-21(20)26)29(18(2)30)22(24(31)32-3)15-19-10-6-5-7-11-19/h5-13,16,22H,4,14-15,17H2,1-3H3