3-[2-[(3-chlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(3-chlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[(3-chlorophenyl)methyl-methyl-amino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-[(3-chlorobenzyl)-methyl-amino]-2-keto-ethyl]thio]propionic acid Formula: C13H16ClNO3S MolecularWeight: 301.78904

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)Cl)C(=O)CSCCC(=O)O

Isomeric SMILES

CN(CC1=CC(=CC=C1)Cl)C(=O)CSCCC(=O)O

InChI

InChI=1S/C13H16ClNO3S/c1-15(8-10-3-2-4-11(14)7-10)12(16)9-19-6-5-13(17)18/h2-4,7H,5-6,8-9H2,1H3,(H,17,18)