2-methoxy-5-[(4-phenylsulfanylbutanoylamino)methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[(4-phenylsulfanylbutanoylamino)methyl]benzoic acid Openeye Name: 2-methoxy-5-[(4-phenylsulfanylbutanoylamino)methyl]benzoic acid CAS Name: 2-methoxy-5-[[[1-oxo-4-(phenylthio)butyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[(4-phenylsulfanylbutanoylamino)methyl]benzoic acid Traditional Name: 2-methoxy-5-[[4-(phenylthio)butanoylamino]methyl]benzoic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCCSC2=CC=CC=C2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCCSC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H21NO4S/c1-24-17-10-9-14(12-16(17)19(22)23)13-20-18(21)8-5-11-25-15-6-3-2-4-7-15/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,20,21)(H,22,23)