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

Systemtic Name: 2-chloranylprop-2-enyl 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 2-chloroallyl 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-chloroprop-2-enyl ester IUPAC Name: 2-chloroprop-2-enyl 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(homoveratrylamino)-2-keto-ethyl]thio]benzoic acid 2-chloroallyl ester Formula: C22H24ClNO5S MolecularWeight: 449.94766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO5S/c1-15(23)13-29-22(26)17-6-4-5-7-20(17)30-14-21(25)24-11-10-16-8-9-18(27-2)19(12-16)28-3/h4-9,12H,1,10-11,13-14H2,2-3H3,(H,24,25)