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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (2-amino-2-oxo-ethyl) 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 (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(homoveratrylamino)-2-keto-ethyl]thio]benzoic acid (2-amino-2-keto-ethyl) ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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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)N)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6S/c1-27-16-8-7-14(11-17(16)28-2)9-10-23-20(25)13-30-18-6-4-3-5-15(18)21(26)29-12-19(22)24/h3-8,11H,9-10,12-13H2,1-2H3,(H2,22,24)(H,23,25)