cyclopentyl (2S)-2-[[5-(4-chloranyl-3-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]amino]-4-methyl-pentanoate

Systemtic Name: cyclopentyl (2S)-2-[[5-(4-chloranyl-3-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]amino]-4-methyl-pentanoate Openeye Name: cyclopentyl (2S)-2-[[5-(4-chloro-3-methylsulfonyl-phenyl)-4-methyl-thiazol-2-yl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[5-(4-chloro-3-methylsulfonylphenyl)-4-methyl-2-thiazolyl]amino]-4-methylpentanoic acid cyclopentyl ester IUPAC Name: cyclopentyl (2S)-2-[[5-(4-chloro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[5-(4-chloro-3-mesyl-phenyl)-4-methyl-thiazol-2-yl]amino]-4-methyl-valeric acid cyclopentyl ester Formula: C22H29ClN2O4S2 MolecularWeight: 485.05966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(CC(C)C)C(=O)OC2CCCC2)C3=CC(=C(C=C3)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=C(SC(=N1)N[C@@H](CC(C)C)C(=O)OC2CCCC2)C3=CC(=C(C=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C22H29ClN2O4S2/c1-13(2)11-18(21(26)29-16-7-5-6-8-16)25-22-24-14(3)20(30-22)15-9-10-17(23)19(12-15)31(4,27)28/h9-10,12-13,16,18H,5-8,11H2,1-4H3,(H,24,25)/t18-/m0/s1