ethyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl(furan-2-ylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl(furan-2-ylmethyl)amino]propanoate Openeye Name: ethyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl(2-furylmethyl)amino]propanoate CAS Name: 3-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]-(2-furanylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl(furan-2-ylmethyl)amino]propanoate Traditional Name: 3-[2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoyl(2-furfuryl)amino]propionic acid ethyl ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C(=S)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C(=S)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H22N2O5S/c1-2-23-18(22)7-8-21(13-15-4-3-9-24-15)19(27)20-14-5-6-16-17(12-14)26-11-10-25-16/h3-6,9,12H,2,7-8,10-11,13H2,1H3,(H,20,27)