ethyl 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl-(furan-2-ylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl-(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl-(2-furylmethyl)amino]propanoate CAS Name: 3-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl-(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[2-furfuryl(homoveratrylthiocarbamoyl)amino]propionic acid ethyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C(=S)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C(=S)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H28N2O5S/c1-4-27-20(24)10-12-23(15-17-6-5-13-28-17)21(29)22-11-9-16-7-8-18(25-2)19(14-16)26-3/h5-8,13-14H,4,9-12,15H2,1-3H3,(H,22,29)