4-azanyl-2-(ethanoylsulfanylmethyl)-3-(3-phenylpropanoyl)benzoic acid

Systemtic Name: 4-azanyl-2-(ethanoylsulfanylmethyl)-3-(3-phenylpropanoyl)benzoic acid Openeye Name: 2-(acetylsulfanylmethyl)-4-amino-3-(3-phenylpropanoyl)benzoic acid CAS Name: 2-[(acetylthio)methyl]-4-amino-3-(1-oxo-3-phenylpropyl)benzoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-4-amino-3-(3-phenylpropanoyl)benzoic acid Traditional Name: 2-[(acetylthio)methyl]-4-amino-3-hydrocinnamoyl-benzoic acid Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=C(C=CC(=C1C(=O)CCC2=CC=CC=C2)N)C(=O)O

Isomeric SMILES

CC(=O)SCC1=C(C=CC(=C1C(=O)CCC2=CC=CC=C2)N)C(=O)O

InChI

InChI=1S/C19H19NO4S/c1-12(21)25-11-15-14(19(23)24)8-9-16(20)18(15)17(22)10-7-13-5-3-2-4-6-13/h2-6,8-9H,7,10-11,20H2,1H3,(H,23,24)