2-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[methyl(p-tolylmethyl)amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-keto-2-[methyl-(4-methylbenzyl)amino]ethyl]thio]acetic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C)C(=O)CSCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN(C)C(=O)CSCC(=O)O

InChI

InChI=1S/C13H17NO3S/c1-10-3-5-11(6-4-10)7-14(2)12(15)8-18-9-13(16)17/h3-6H,7-9H2,1-2H3,(H,16,17)