[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2CC2

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NC2CC2

InChI

InChI=1S/C15H19NO3S/c1-11-2-6-13(7-3-11)20-9-8-15(18)19-10-14(17)16-12-4-5-12/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,16,17)