4-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]benzoic acid

Systemtic Name: 4-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]benzoic acid Openeye Name: 4-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]benzoic acid CAS Name: 4-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]benzoic acid IUPAC Name: 4-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]benzoic acid Traditional Name: 4-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]benzoic acid Formula: C19H16N2O4S3 MolecularWeight: 432.53634

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC=CC(=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC=CC(=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H16N2O4S3/c1-26-19-16(10-15(27-19)17(20)21)28(24,25)14-4-2-3-13(9-14)11-5-7-12(8-6-11)18(22)23/h2-10H,1H3,(H3,20,21)(H,22,23)