[4-[2-[(2-methyl-1-phenyl-propan-2-yl)amino]ethanoyl]-2-methylsulfanyl-phenyl] ethanoate

Systemtic Name: [4-[2-[(2-methyl-1-phenyl-propan-2-yl)amino]ethanoyl]-2-methylsulfanyl-phenyl] ethanoate Openeye Name: [4-[2-[(1,1-dimethyl-2-phenyl-ethyl)amino]acetyl]-2-methylsulfanyl-phenyl] acetate CAS Name: acetic acid [4-[2-[(2-methyl-1-phenylpropan-2-yl)amino]-1-oxoethyl]-2-(methylthio)phenyl] ester IUPAC Name: [4-[2-[(2-methyl-1-phenylpropan-2-yl)amino]acetyl]-2-methylsulfanylphenyl] acetate Traditional Name: acetic acid [4-[2-[(1,1-dimethyl-2-phenyl-ethyl)amino]acetyl]-2-(methylthio)phenyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C(=O)CNC(C)(C)CC2=CC=CC=C2)SC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C(=O)CNC(C)(C)CC2=CC=CC=C2)SC

InChI

InChI=1S/C21H25NO3S/c1-15(23)25-19-11-10-17(12-20(19)26-4)18(24)14-22-21(2,3)13-16-8-6-5-7-9-16/h5-12,22H,13-14H2,1-4H3