[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO3S/c1-12(16(20)18-17(2,3)4)21-15(19)11-8-13-6-9-14(22-5)10-7-13/h6-12H,1-5H3,(H,18,20)/b11-8+/t12-/m1/s1