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

Systemtic Name: cyclopentyl (2S)-2-[[5-(4-chloranyl-3-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]amino]-3-phenyl-propanoate Openeye Name: cyclopentyl (2S)-2-[[5-(4-chloro-3-methylsulfonyl-phenyl)-4-methyl-thiazol-2-yl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[5-(4-chloro-3-methylsulfonylphenyl)-4-methyl-2-thiazolyl]amino]-3-phenylpropanoic acid cyclopentyl ester IUPAC Name: cyclopentyl (2S)-2-[[5-(4-chloro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[5-(4-chloro-3-mesyl-phenyl)-4-methyl-thiazol-2-yl]amino]-3-phenyl-propionic acid cyclopentyl ester Formula: C25H27ClN2O4S2 MolecularWeight: 519.07588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(CC2=CC=CC=C2)C(=O)OC3CCCC3)C4=CC(=C(C=C4)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=C(SC(=N1)N[C@@H](CC2=CC=CC=C2)C(=O)OC3CCCC3)C4=CC(=C(C=C4)Cl)S(=O)(=O)C

InChI

InChI=1S/C25H27ClN2O4S2/c1-16-23(18-12-13-20(26)22(15-18)34(2,30)31)33-25(27-16)28-21(14-17-8-4-3-5-9-17)24(29)32-19-10-6-7-11-19/h3-5,8-9,12-13,15,19,21H,6-7,10-11,14H2,1-2H3,(H,27,28)/t21-/m0/s1