methyl 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]carbonylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazol-4-yl]carbonylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanyl-imidazole-4-carbonyl]amino]-3-methyl-pentanoate CAS Name: 2-[[[3-[(2-chlorophenyl)methyl]-2-(propylthio)-4-imidazolyl]-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[3-[(2-chlorophenyl)methyl]-2-propylsulfanylimidazole-4-carbonyl]amino]-3-methylpentanoate Traditional Name: 2-[[3-(2-chlorobenzyl)-2-(propylthio)imidazole-4-carbonyl]amino]-3-methyl-valeric acid methyl ester Formula: C21H28ClN3O3S MolecularWeight: 437.98332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN3O3S/c1-5-11-29-21-23-12-17(25(21)13-15-9-7-8-10-16(15)22)19(26)24-18(14(3)6-2)20(27)28-4/h7-10,12,14,18H,5-6,11,13H2,1-4H3,(H,24,26)