[2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [2-keto-2-[methyl(veratryl)amino]ethyl] ester Formula: C23H26N2O5S2 MolecularWeight: 474.59294

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)OC)C(=O)COC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)OC)C(=O)COC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H26N2O5S2/c1-25(14-16-10-11-18(28-2)19(13-16)29-3)21(26)15-30-22(27)9-6-12-31-23-24-17-7-4-5-8-20(17)32-23/h4-5,7-8,10-11,13H,6,9,12,14-15H2,1-3H3