propyl 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: propyl 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: propyl 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]thio]benzoic acid propyl ester IUPAC Name: propyl 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(homoveratrylamino)-2-keto-ethyl]thio]benzoic acid propyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=CC=C1SCC(=O)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCOC(=O)C1=CC=CC=C1SCC(=O)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H27NO5S/c1-4-13-28-22(25)17-7-5-6-8-20(17)29-15-21(24)23-12-11-16-9-10-18(26-2)19(14-16)27-3/h5-10,14H,4,11-13,15H2,1-3H3,(H,23,24)