[1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 3-phenylsulfanylpropanoate

Systemtic Name: [1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 3-phenylsulfanylpropanoate Openeye Name: [1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid (2-keto-2-mesidino-1-methyl-ethyl) ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)CCSC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)CCSC2=CC=CC=C2)C

InChI

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