2-[2-[[2-chloranyl-6-(4-methoxyphenoxy)phenyl]methylamino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[[2-chloranyl-6-(4-methoxyphenoxy)phenyl]methylamino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methylamino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methylamino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[[2-chloro-6-(4-methoxyphenoxy)phenyl]methylamino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[[2-chloro-6-(4-methoxyphenoxy)benzyl]amino]-2-keto-ethyl]thio]acetic acid Formula: C18H18ClNO5S MolecularWeight: 395.85722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=C(C(=CC=C2)Cl)CNC(=O)CSCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)OC2=C(C(=CC=C2)Cl)CNC(=O)CSCC(=O)O

InChI

InChI=1S/C18H18ClNO5S/c1-24-12-5-7-13(8-6-12)25-16-4-2-3-15(19)14(16)9-20-17(21)10-26-11-18(22)23/h2-8H,9-11H2,1H3,(H,20,21)(H,22,23)