[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NCCCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NCCCC2=CC=CC=C2

InChI

InChI=1S/C20H23NO4S/c1-24-18-13-16(26-2)10-11-17(18)20(23)25-14-19(22)21-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,21,22)