[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C15H15NO3S MolecularWeight: 289.3495

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)OCC(=O)NCC#C

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C15H15NO3S/c1-3-10-16-14(17)11-19-15(18)9-6-12-4-7-13(20-2)8-5-12/h1,4-9H,10-11H2,2H3,(H,16,17)/b9-6+