2-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]ethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[2-(3-chlorophenyl)thiazol-4-yl]acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[2-(3-chlorophenyl)-4-thiazolyl]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[2-(3-chlorophenyl)thiazol-4-yl]acetyl]amino]-3-methyl-butyric acid Formula: C16H17ClN2O3S MolecularWeight: 352.83578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CC1=CSC(=N1)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CC1=CSC(=N1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H17ClN2O3S/c1-9(2)14(16(21)22)19-13(20)7-12-8-23-15(18-12)10-4-3-5-11(17)6-10/h3-6,8-9,14H,7H2,1-2H3,(H,19,20)(H,21,22)