ethyl 2-chloranyl-4-[2-(phenylmethylsulfanyl)propanoylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-4-[2-(phenylmethylsulfanyl)propanoylamino]benzoate Openeye Name: ethyl 4-(2-benzylsulfanylpropanoylamino)-2-chloro-benzoate CAS Name: 2-chloro-4-[[1-oxo-2-(phenylmethylthio)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(2-benzylsulfanylpropanoylamino)-2-chlorobenzoate Traditional Name: 4-[2-(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=C(C=C1)NC(=O)C(C)SCC2=CC=CC=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(C=C(C=C1)NC(=O)C(C)SCC2=CC=CC=C2)Cl

InChI

InChI=1S/C19H20ClNO3S/c1-3-24-19(23)16-10-9-15(11-17(16)20)21-18(22)13(2)25-12-14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3,(H,21,22)