2-[(3-chlorophenyl)-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid

Systemtic Name: 2-[(3-chlorophenyl)-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid Openeye Name: 2-(3-chloro-N-(2-methyl-3-sulfanyl-propanoyl)anilino)acetic acid CAS Name: 2-(3-chloro-N-(3-mercapto-2-methyl-1-oxopropyl)anilino)acetic acid IUPAC Name: 2-(3-chloro-N-(2-methyl-3-sulfanylpropanoyl)anilino)acetic acid Traditional Name: 2-(3-chloro-N-(3-mercapto-2-methyl-propanoyl)anilino)acetic acid Formula: C12H14ClNO3S MolecularWeight: 287.76246

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N(CC(=O)O)C1=CC(=CC=C1)Cl

Isomeric SMILES

CC(CS)C(=O)N(CC(=O)O)C1=CC(=CC=C1)Cl

InChI

InChI=1S/C12H14ClNO3S/c1-8(7-18)12(17)14(6-11(15)16)10-4-2-3-9(13)5-10/h2-5,8,18H,6-7H2,1H3,(H,15,16)