[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C19H21ClN2O4S MolecularWeight: 408.89904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NCCCSC2=CC=CC=C2)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NCCCSC2=CC=CC=C2)Cl)N

InChI

InChI=1S/C19H21ClN2O4S/c1-25-17-11-16(21)15(20)10-14(17)19(24)26-12-18(23)22-8-5-9-27-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12,21H2,1H3,(H,22,23)