[2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [2-keto-2-(1,1,3,3-tetramethylbutylamino)ethyl] ester Formula: C20H29NO3S MolecularWeight: 363.51416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)COC(=O)/C=C/C1=CC=C(C=C1)SC

InChI

InChI=1S/C20H29NO3S/c1-19(2,3)14-20(4,5)21-17(22)13-24-18(23)12-9-15-7-10-16(25-6)11-8-15/h7-12H,13-14H2,1-6H3,(H,21,22)/b12-9+