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

Systemtic Name: (phenylmethyl) 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(homoveratrylamino)-2-keto-ethyl]thio]benzoic acid benzyl ester Formula: C26H27NO5S MolecularWeight: 465.56128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=CC=CC=C2C(=O)OCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=CC=CC=C2C(=O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C26H27NO5S/c1-30-22-13-12-19(16-23(22)31-2)14-15-27-25(28)18-33-24-11-7-6-10-21(24)26(29)32-17-20-8-4-3-5-9-20/h3-13,16H,14-15,17-18H2,1-2H3,(H,27,28)