[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-chloranyl-2-oxidanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-chloranyl-2-oxidanyl-benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-chloro-2-hydroxy-benzoate CAS Name: 4-chloro-2-hydroxybenzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-chloro-2-hydroxybenzoate Traditional Name: 4-chloro-2-hydroxy-benzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C18H18ClNO4S MolecularWeight: 379.85782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=C(C=C(C=C2)Cl)O

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)COC(=O)C2=C(C=C(C=C2)Cl)O

InChI

InChI=1S/C18H18ClNO4S/c19-13-7-8-15(16(21)11-13)18(23)24-12-17(22)20-9-4-10-25-14-5-2-1-3-6-14/h1-3,5-8,11,21H,4,9-10,12H2,(H,20,22)