[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)C=CSC1=CC=CC=C1

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)/C=C/SC1=CC=CC=C1

InChI

InChI=1S/C15H18N2O4S/c1-11(2)16-15(20)17-13(18)10-21-14(19)8-9-22-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H2,16,17,18,20)/b9-8+