[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-methylbenzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 3-methylbenzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO3S/c1-15-7-5-8-16(13-15)19(22)23-14-18(21)20-11-6-12-24-17-9-3-2-4-10-17/h2-5,7-10,13H,6,11-12,14H2,1H3,(H,20,21)