2-[4-[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethoxy]phenyl]ethanoate

Systemtic Name: 2-[4-[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethoxy]phenyl]ethanoate Openeye Name: 2-[4-[2-oxo-2-(3-phenylsulfanylpropylamino)ethoxy]phenyl]acetate CAS Name: 2-[4-[2-oxo-2-[3-(phenylthio)propylamino]ethoxy]phenyl]acetate IUPAC Name: 2-[4-[2-oxo-2-(3-phenylsulfanylpropylamino)ethoxy]phenyl]acetate Traditional Name: 2-[4-[2-keto-2-[3-(phenylthio)propylamino]ethoxy]phenyl]acetate Formula: C19H20NO4S- MolecularWeight: 358.4314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC2=CC=C(C=C2)CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC2=CC=C(C=C2)CC(=O)[O-]

InChI

InChI=1S/C19H21NO4S/c21-18(20-11-4-12-25-17-5-2-1-3-6-17)14-24-16-9-7-15(8-10-16)13-19(22)23/h1-3,5-10H,4,11-14H2,(H,20,21)(H,22,23)/p-1