2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-carbamothioyl]sulfanylethanoic acid

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-carbamothioyl]sulfanylethanoic acid Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-carbamothioyl]sulfanylacetic acid CAS Name: 2-[[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-sulfanylidenemethyl]thio]acetic acid IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methylcarbamothioyl]sulfanylacetic acid Traditional Name: 2-[[homoveratryl(methyl)thiocarbamoyl]thio]acetic acid Formula: C14H19NO4S2 MolecularWeight: 329.43496

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=S)SCC(=O)O

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=S)SCC(=O)O

InChI

InChI=1S/C14H19NO4S2/c1-15(14(20)21-9-13(16)17)7-6-10-4-5-11(18-2)12(8-10)19-3/h4-5,8H,6-7,9H2,1-3H3,(H,16,17)