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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO5S/c1-26-19-10-8-17(12-20(19)27-2)23-21(24)13-28-22(25)14-29-18-9-7-15-5-3-4-6-16(15)11-18/h3-12H,13-14H2,1-2H3,(H,23,24)