(2R)-2-[(2,4-dimethoxyphenyl)methylamino]-3-prop-2-enylsulfanyl-propanoic acid

Systemtic Name: (2R)-2-[(2,4-dimethoxyphenyl)methylamino]-3-prop-2-enylsulfanyl-propanoic acid Openeye Name: (2R)-3-allylsulfanyl-2-[(2,4-dimethoxyphenyl)methylamino]propanoic acid CAS Name: (2R)-2-[(2,4-dimethoxyphenyl)methylamino]-3-(prop-2-enylthio)propanoic acid IUPAC Name: (2R)-2-[(2,4-dimethoxyphenyl)methylamino]-3-prop-2-enylsulfanylpropanoic acid Traditional Name: (2R)-3-(allylthio)-2-[(2,4-dimethoxybenzyl)amino]propionic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(CSCC=C)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN[C@@H](CSCC=C)C(=O)O)OC

InChI

InChI=1S/C15H21NO4S/c1-4-7-21-10-13(15(17)18)16-9-11-5-6-12(19-2)8-14(11)20-3/h4-6,8,13,16H,1,7,9-10H2,2-3H3,(H,17,18)/t13-/m0/s1