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

Systemtic Name: [2-oxidanylidene-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-keto-2-[[(2R)-2-phenylpropyl]amino]ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)OCC(=O)NCC(C)C2=CC=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3S/c1-15-9-10-19(11-16(15)2)26-14-21(24)25-13-20(23)22-12-17(3)18-7-5-4-6-8-18/h4-11,17H,12-14H2,1-3H3,(H,22,23)/t17-/m0/s1