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

Systemtic Name: ethyl 4-[2-(phenylmethylsulfanyl)propanoylamino]benzoate Openeye Name: ethyl 4-(2-benzylsulfanylpropanoylamino)benzoate CAS Name: 4-[[1-oxo-2-(phenylmethylthio)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(2-benzylsulfanylpropanoylamino)benzoate Traditional Name: 4-[2-(benzylthio)propanoylamino]benzoic acid ethyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO3S/c1-3-23-19(22)16-9-11-17(12-10-16)20-18(21)14(2)24-13-15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H,20,21)