methyl 2-(2-phenylsulfanylbutanoylamino)benzoate

Systemtic Name: methyl 2-(2-phenylsulfanylbutanoylamino)benzoate Openeye Name: methyl 2-(2-phenylsulfanylbutanoylamino)benzoate CAS Name: 2-[[1-oxo-2-(phenylthio)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(2-phenylsulfanylbutanoylamino)benzoate Traditional Name: 2-[2-(phenylthio)butanoylamino]benzoic acid methyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C18H19NO3S/c1-3-16(23-13-9-5-4-6-10-13)17(20)19-15-12-8-7-11-14(15)18(21)22-2/h4-12,16H,3H2,1-2H3,(H,19,20)