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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C14H17NO3S MolecularWeight: 279.35468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3S/c1-11(2)15-13(16)10-18-14(17)8-9-19-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,15,16)/b9-8+