[2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)CSC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)COC(=O)CSC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C22H27NO3S/c1-4-8-20(18-9-6-5-7-10-18)23-21(24)14-26-22(25)15-27-19-12-11-16(2)17(3)13-19/h5-7,9-13,20H,4,8,14-15H2,1-3H3,(H,23,24)/t20-/m1/s1