[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)CSC2=CC3=CC=CC=C3C=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)CSC2=CC3=CC=CC=C3C=C2)OC

InChI

InChI=1S/C23H23NO5S/c1-27-20-10-7-16(11-21(20)28-2)13-24-22(25)14-29-23(26)15-30-19-9-8-17-5-3-4-6-18(17)12-19/h3-12H,13-15H2,1-2H3,(H,24,25)