4-[(3-aminocarbonylphenyl)methylsulfanyl]benzoic acid

Systemtic Name: 4-[(3-aminocarbonylphenyl)methylsulfanyl]benzoic acid Openeye Name: 4-[(3-carbamoylphenyl)methylsulfanyl]benzoic acid CAS Name: 4-[(3-carbamoylphenyl)methylthio]benzoic acid IUPAC Name: 4-[(3-carbamoylphenyl)methylsulfanyl]benzoic acid Traditional Name: 4-[(3-carbamoylbenzyl)thio]benzoic acid Formula: C15H13NO3S MolecularWeight: 287.33362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=CC=C(C=C2)C(=O)O)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=CC=C(C=C2)C(=O)O)C(=O)N

InChI

InChI=1S/C15H13NO3S/c16-14(17)12-3-1-2-10(8-12)9-20-13-6-4-11(5-7-13)15(18)19/h1-8H,9H2,(H2,16,17)(H,18,19)