[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylsulfanylphenyl)prop-2-enoate

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] 3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: 3-[4-(methylthio)phenyl]-2-propenoic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: 3-[4-(methylthio)phenyl]acrylic acid [2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C=CC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C=CC2=CC=C(C=C2)SC

InChI

InChI=1S/C23H27NO3S/c1-23(2,3)24(16-19-8-6-5-7-9-19)21(25)17-27-22(26)15-12-18-10-13-20(28-4)14-11-18/h5-15H,16-17H2,1-4H3