[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C21H21NO3S/c1-26-18-12-7-15(8-13-18)9-14-19(23)25-20(16-5-3-2-4-6-16)21(24)22-17-10-11-17/h2-9,12-14,17,20H,10-11H2,1H3,(H,22,24)/b14-9+/t20-/m1/s1