methyl 4-(4-phenylsulfanylbutanoylamino)benzoate

Systemtic Name: methyl 4-(4-phenylsulfanylbutanoylamino)benzoate Openeye Name: methyl 4-(4-phenylsulfanylbutanoylamino)benzoate CAS Name: 4-[[1-oxo-4-(phenylthio)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-phenylsulfanylbutanoylamino)benzoate Traditional Name: 4-[4-(phenylthio)butanoylamino]benzoic acid methyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCCSC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCCSC2=CC=CC=C2

InChI

InChI=1S/C18H19NO3S/c1-22-18(21)14-9-11-15(12-10-14)19-17(20)8-5-13-23-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,19,20)