2-[3-[ethyl-(3-methylphenyl)amino]-2-oxidanyl-propyl]sulfanylethanoic acid

Systemtic Name: 2-[3-[ethyl-(3-methylphenyl)amino]-2-oxidanyl-propyl]sulfanylethanoic acid Openeye Name: 2-[3-(N-ethyl-3-methyl-anilino)-2-hydroxy-propyl]sulfanylacetic acid CAS Name: 2-[[3-(N-ethyl-3-methylanilino)-2-hydroxypropyl]thio]acetic acid IUPAC Name: 2-[3-(N-ethyl-3-methylanilino)-2-hydroxypropyl]sulfanylacetic acid Traditional Name: 2-[[3-(N-ethyl-3-methyl-anilino)-2-hydroxy-propyl]thio]acetic acid Formula: C14H21NO3S MolecularWeight: 283.38644

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(CSCC(=O)O)O)C1=CC=CC(=C1)C

Isomeric SMILES

CCN(CC(CSCC(=O)O)O)C1=CC=CC(=C1)C

InChI

InChI=1S/C14H21NO3S/c1-3-15(12-6-4-5-11(2)7-12)8-13(16)9-19-10-14(17)18/h4-7,13,16H,3,8-10H2,1-2H3,(H,17,18)