2-[(4-ethylphenyl)methylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(4-ethylphenyl)methylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(4-ethylphenyl)methylamino]-3-sulfanyl-propanoic acid CAS Name: 2-[(4-ethylphenyl)methylamino]-3-mercaptopropanoic acid IUPAC Name: 2-[(4-ethylphenyl)methylamino]-3-sulfanylpropanoic acid Traditional Name: 2-[(4-ethylbenzyl)amino]-3-mercapto-propionic acid Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNC(CS)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CNC(CS)C(=O)O

InChI

InChI=1S/C12H17NO2S/c1-2-9-3-5-10(6-4-9)7-13-11(8-16)12(14)15/h3-6,11,13,16H,2,7-8H2,1H3,(H,14,15)