methyl 2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]ethanoate

Systemtic Name: methyl 2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]ethanoate Openeye Name: methyl 2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]acetate CAS Name: 2-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]acetate Traditional Name: 2-[[(E)-3-phenylacryloyl]thiocarbamoylamino]acetic acid methyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=S)NC(=O)C=CC1=CC=CC=C1

Isomeric SMILES

COC(=O)CNC(=S)NC(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C13H14N2O3S/c1-18-12(17)9-14-13(19)15-11(16)8-7-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H2,14,15,16,19)/b8-7+