[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,4-dimethylphenyl)thio]acetic acid [2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)NC(C)CCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)N[C@H](C)CCC2=CC=CC=C2)C

InChI

InChI=1S/C22H27NO3S/c1-16-9-12-20(17(2)13-16)27-15-22(25)26-14-21(24)23-18(3)10-11-19-7-5-4-6-8-19/h4-9,12-13,18H,10-11,14-15H2,1-3H3,(H,23,24)/t18-/m1/s1