2-[2-(4-chloranyl-2-methyl-phenoxy)propanoylamino]-3-methyl-butanethioic S-acid

Systemtic Name: 2-[2-(4-chloranyl-2-methyl-phenoxy)propanoylamino]-3-methyl-butanethioic S-acid Openeye Name: 2-[2-(4-chloro-2-methyl-phenoxy)propanoylamino]-3-methyl-butanethioic S-acid CAS Name: 2-[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]amino]-3-methylbutanethioic S-acid IUPAC Name: 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]-3-methylbutanethioic S-acid Traditional Name: 2-[2-(4-chloro-2-methyl-phenoxy)propanoylamino]-3-methyl-thiobutyric acid Formula: C15H20ClNO3S MolecularWeight: 329.8422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC(C(C)C)C(=O)S

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC(C(C)C)C(=O)S

InChI

InChI=1S/C15H20ClNO3S/c1-8(2)13(15(19)21)17-14(18)10(4)20-12-6-5-11(16)7-9(12)3/h5-8,10,13H,1-4H3,(H,17,18)(H,19,21)