[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C=CC1=CC=C(C=C1)SC

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)/C=C/C1=CC=C(C=C1)SC

InChI

InChI=1S/C17H23NO3S/c1-12(2)11-18-17(20)13(3)21-16(19)10-7-14-5-8-15(22-4)9-6-14/h5-10,12-13H,11H2,1-4H3,(H,18,20)/b10-7+/t13-/m0/s1