ethyl 4-[3-(phenylmethylsulfanyl)propanoylamino]benzoate

Systemtic Name: ethyl 4-[3-(phenylmethylsulfanyl)propanoylamino]benzoate Openeye Name: ethyl 4-(3-benzylsulfanylpropanoylamino)benzoate CAS Name: 4-[[1-oxo-3-(phenylmethylthio)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-benzylsulfanylpropanoylamino)benzoate Traditional Name: 4-[3-(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)CCSCC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO3S/c1-2-23-19(22)16-8-10-17(11-9-16)20-18(21)12-13-24-14-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,20,21)