ethyl 3-[furan-2-ylmethyl(3-phenylprop-2-enoylcarbamothioyl)amino]propanoate

Systemtic Name: ethyl 3-[furan-2-ylmethyl(3-phenylprop-2-enoylcarbamothioyl)amino]propanoate Openeye Name: ethyl 3-[2-furylmethyl(3-phenylprop-2-enoylcarbamothioyl)amino]propanoate CAS Name: 3-[2-furanylmethyl-[[(1-oxo-3-phenylprop-2-enyl)amino]-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[furan-2-ylmethyl(3-phenylprop-2-enoylcarbamothioyl)amino]propanoate Traditional Name: 3-[cinnamoylthiocarbamoyl(2-furfuryl)amino]propionic acid ethyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CO1)C(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CO1)C(=S)NC(=O)C=CC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O4S/c1-2-25-19(24)12-13-22(15-17-9-6-14-26-17)20(27)21-18(23)11-10-16-7-4-3-5-8-16/h3-11,14H,2,12-13,15H2,1H3,(H,21,23,27)