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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(=O)NCC1=CC(=CC=C1)OC

Isomeric SMILES

CC(C(=O)O)SCC(=O)NCC1=CC(=CC=C1)OC

InChI

InChI=1S/C13H17NO4S/c1-9(13(16)17)19-8-12(15)14-7-10-4-3-5-11(6-10)18-2/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H,16,17)