[2-(tert-butylamino)-2-oxidanylidene-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C16H21NO3S MolecularWeight: 307.40784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3S/c1-16(2,3)17-14(18)11-20-15(19)10-7-12-5-8-13(21-4)9-6-12/h5-10H,11H2,1-4H3,(H,17,18)/b10-7+