[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2,4,5-trimethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2,4,5-trimethoxybenzoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NCCSCC2=CC=CC=C2)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NCCSCC2=CC=CC=C2)OC)OC

InChI

InChI=1S/C21H25NO6S/c1-25-17-12-19(27-3)18(26-2)11-16(17)21(24)28-13-20(23)22-9-10-29-14-15-7-5-4-6-8-15/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,22,23)