[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 2-[(1-bromo-2-naphthyl)sulfanyl]acetate CAS Name: 2-[(1-bromo-2-naphthalenyl)thio]acetic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)sulfanylacetate Traditional Name: 2-[(1-bromo-2-naphthyl)thio]acetic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C24H24BrNO5S MolecularWeight: 518.42006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)CSC2=C(C3=CC=CC=C3C=C2)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)COC(=O)CSC2=C(C3=CC=CC=C3C=C2)Br)OC

InChI

InChI=1S/C24H24BrNO5S/c1-29-19-9-7-16(13-20(19)30-2)11-12-26-22(27)14-31-23(28)15-32-21-10-8-17-5-3-4-6-18(17)24(21)25/h3-10,13H,11-12,14-15H2,1-2H3,(H,26,27)