ethyl (Z)-3-[2-(3,4-dimethoxyphenyl)ethyl-(2-ethylsulfanylethanoyl)amino]-2-methyl-but-2-enoate

Systemtic Name: ethyl (Z)-3-[2-(3,4-dimethoxyphenyl)ethyl-(2-ethylsulfanylethanoyl)amino]-2-methyl-but-2-enoate Openeye Name: ethyl (Z)-3-[2-(3,4-dimethoxyphenyl)ethyl-(2-ethylsulfanylacetyl)amino]-2-methyl-but-2-enoate CAS Name: (Z)-3-[2-(3,4-dimethoxyphenyl)ethyl-[2-(ethylthio)-1-oxoethyl]amino]-2-methyl-2-butenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-[2-(3,4-dimethoxyphenyl)ethyl-(2-ethylsulfanylacetyl)amino]-2-methylbut-2-enoate Traditional Name: (Z)-3-[[2-(ethylthio)acetyl]-homoveratryl-amino]-2-methyl-but-2-enoic acid ethyl ester Formula: C21H31NO5S MolecularWeight: 409.53954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C)N(CCC1=CC(=C(C=C1)OC)OC)C(=O)CSCC)C

Isomeric SMILES

CCOC(=O)/C(=C(/C)\N(CCC1=CC(=C(C=C1)OC)OC)C(=O)CSCC)/C

InChI

InChI=1S/C21H31NO5S/c1-7-27-21(24)15(3)16(4)22(20(23)14-28-8-2)12-11-17-9-10-18(25-5)19(13-17)26-6/h9-10,13H,7-8,11-12,14H2,1-6H3/b16-15-