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

Systemtic Name: 3-azanyl-4-(phenylcarbonyl)-5-prop-2-enylsulfanyl-benzoic acid Openeye Name: 3-allylsulfanyl-5-amino-4-benzoyl-benzoic acid CAS Name: 3-amino-4-benzoyl-5-(prop-2-enylthio)benzoic acid IUPAC Name: 3-amino-4-benzoyl-5-prop-2-enylsulfanylbenzoic acid Traditional Name: 3-(allylthio)-5-amino-4-benzoyl-benzoic acid Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)N)C(=O)O

Isomeric SMILES

C=CCSC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)N)C(=O)O

InChI

InChI=1S/C17H15NO3S/c1-2-8-22-14-10-12(17(20)21)9-13(18)15(14)16(19)11-6-4-3-5-7-11/h2-7,9-10H,1,8,18H2,(H,20,21)