3-[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-keto-2-(m-anisylamino)ethyl]thio]propionic acid Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CSCCC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)CSCCC(=O)O

InChI

InChI=1S/C13H17NO4S/c1-18-11-4-2-3-10(7-11)8-14-12(15)9-19-6-5-13(16)17/h2-4,7H,5-6,8-9H2,1H3,(H,14,15)(H,16,17)