[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3,4-dimethylbenzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3,4-dimethylbenzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3,4-dimethylbenzoate CAS Name: 3,4-dimethylbenzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3,4-dimethylbenzoate Traditional Name: 3,4-dimethylbenzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCCSC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCCCSC2=CC=CC=C2)C

InChI

InChI=1S/C20H23NO3S/c1-15-9-10-17(13-16(15)2)20(23)24-14-19(22)21-11-6-12-25-18-7-4-3-5-8-18/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,21,22)