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

Systemtic Name: phenacyl 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: phenacyl 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 phenacyl ester IUPAC Name: phenacyl 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(homoveratrylamino)-2-keto-ethyl]thio]benzoic acid phenacyl ester Formula: C27H27NO6S MolecularWeight: 493.57138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO6S/c1-32-23-13-12-19(16-24(23)33-2)14-15-28-26(30)18-35-25-11-7-6-10-21(25)27(31)34-17-22(29)20-8-4-3-5-9-20/h3-13,16H,14-15,17-18H2,1-2H3,(H,28,30)