4-[(2-aminocarbonylphenyl)methylsulfanyl]benzoic acid

Systemtic Name: 4-[(2-aminocarbonylphenyl)methylsulfanyl]benzoic acid Openeye Name: 4-[(2-carbamoylphenyl)methylsulfanyl]benzoic acid CAS Name: 4-[(2-carbamoylphenyl)methylthio]benzoic acid IUPAC Name: 4-[(2-carbamoylphenyl)methylsulfanyl]benzoic acid Traditional Name: 4-[(2-carbamoylbenzyl)thio]benzoic acid Formula: C15H13NO3S MolecularWeight: 287.33362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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