[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-(2,4-dimethylphenyl)sulfanylethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)NCCCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)OCC(=O)NCCCC2=CC=CC=C2)C

InChI

InChI=1S/C21H25NO3S/c1-16-10-11-19(17(2)13-16)26-15-21(24)25-14-20(23)22-12-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,13H,6,9,12,14-15H2,1-2H3,(H,22,23)