3-acetamido-4-(phenylcarbonyl)-5-prop-2-enylsulfanyl-benzoic acid

Systemtic Name: 3-acetamido-4-(phenylcarbonyl)-5-prop-2-enylsulfanyl-benzoic acid Openeye Name: 3-acetamido-5-allylsulfanyl-4-benzoyl-benzoic acid CAS Name: 3-acetamido-4-benzoyl-5-(prop-2-enylthio)benzoic acid IUPAC Name: 3-acetamido-4-benzoyl-5-prop-2-enylsulfanylbenzoic acid Traditional Name: 3-acetamido-5-(allylthio)-4-benzoyl-benzoic acid Formula: C19H17NO4S MolecularWeight: 355.40758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=CC(=C1)C(=O)O)SCC=C)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=C(C(=CC(=C1)C(=O)O)SCC=C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H17NO4S/c1-3-9-25-16-11-14(19(23)24)10-15(20-12(2)21)17(16)18(22)13-7-5-4-6-8-13/h3-8,10-11H,1,9H2,2H3,(H,20,21)(H,23,24)