2-[[2-[(4-methoxyphenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanesulfonic acid

Systemtic Name: 2-[[2-[(4-methoxyphenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanesulfonic acid Openeye Name: 2-[[2-[(4-methoxyphenyl)methyl]-3-sulfanyl-propanoyl]amino]ethanesulfonic acid CAS Name: 2-[[2-(mercaptomethyl)-3-(4-methoxyphenyl)-1-oxopropyl]amino]ethanesulfonic acid IUPAC Name: 2-[[2-[(4-methoxyphenyl)methyl]-3-sulfanylpropanoyl]amino]ethanesulfonic acid Traditional Name: 2-[[2-(mercaptomethyl)-3-(4-methoxyphenyl)propanoyl]amino]ethanesulfonic acid Formula: C13H19NO5S2 MolecularWeight: 333.42366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(CS)C(=O)NCCS(=O)(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC(CS)C(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C13H19NO5S2/c1-19-12-4-2-10(3-5-12)8-11(9-20)13(15)14-6-7-21(16,17)18/h2-5,11,20H,6-9H2,1H3,(H,14,15)(H,16,17,18)