ethyl 3-[(phenylmethyl)-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]amino]propanoate

Systemtic Name: ethyl 3-[(phenylmethyl)-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]amino]propanoate Openeye Name: ethyl 3-[benzyl-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioyl]amino]propanoate CAS Name: 3-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]amino]propanoate Traditional Name: 3-[benzyl-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoyl]amino]propionic acid ethyl ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)C=CC2=CC=CS2

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)C(=S)NC(=O)/C=C/C2=CC=CS2

InChI

InChI=1S/C20H22N2O3S2/c1-2-25-19(24)12-13-22(15-16-7-4-3-5-8-16)20(26)21-18(23)11-10-17-9-6-14-27-17/h3-11,14H,2,12-13,15H2,1H3,(H,21,23,26)/b11-10+