ethyl 2-chloranyl-5-[3-(phenylmethylsulfanyl)propanoylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-5-[3-(phenylmethylsulfanyl)propanoylamino]benzoate Openeye Name: ethyl 5-(3-benzylsulfanylpropanoylamino)-2-chloro-benzoate CAS Name: 2-chloro-5-[[1-oxo-3-(phenylmethylthio)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 5-(3-benzylsulfanylpropanoylamino)-2-chlorobenzoate Traditional Name: 5-[3-(benzylthio)propanoylamino]-2-chloro-benzoic acid ethyl ester Formula: C19H20ClNO3S MolecularWeight: 377.885

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CCSCC2=CC=CC=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=O)CCSCC2=CC=CC=C2)Cl

InChI

InChI=1S/C19H20ClNO3S/c1-2-24-19(23)16-12-15(8-9-17(16)20)21-18(22)10-11-25-13-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H,21,22)