prop-2-enyl 2-(ethoxycarbonylcarbamothioylamino)-3-phenyl-propanoate

Systemtic Name: prop-2-enyl 2-(ethoxycarbonylcarbamothioylamino)-3-phenyl-propanoate Openeye Name: allyl 2-(ethoxycarbonylcarbamothioylamino)-3-phenyl-propanoate CAS Name: 2-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-3-phenylpropanoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-(ethoxycarbonylcarbamothioylamino)-3-phenylpropanoate Traditional Name: 2-(carbethoxythiocarbamoylamino)-3-phenyl-propionic acid allyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC(CC1=CC=CC=C1)C(=O)OCC=C

Isomeric SMILES

CCOC(=O)NC(=S)NC(CC1=CC=CC=C1)C(=O)OCC=C

InChI

InChI=1S/C16H20N2O4S/c1-3-10-22-14(19)13(11-12-8-6-5-7-9-12)17-15(23)18-16(20)21-4-2/h3,5-9,13H,1,4,10-11H2,2H3,(H2,17,18,20,23)