2-[4-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3,5-dimethyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3,5-dimethyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-3,5-dimethyl-phenoxy]acetic acid CAS Name: 2-[4-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-3,5-dimethylphenoxy]acetic acid IUPAC Name: 2-[4-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-3,5-dimethylphenoxy]acetic acid Traditional Name: 2-[4-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-3,5-dimethyl-phenoxy]acetic acid Formula: C22H22N2O5S3 MolecularWeight: 490.61548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC)C)OCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC)C)OCC(=O)O

InChI

InChI=1S/C22H22N2O5S3/c1-12-7-15(29-11-19(25)26)8-13(2)20(12)14-5-4-6-16(9-14)32(27,28)18-10-17(21(23)24)31-22(18)30-3/h4-10H,11H2,1-3H3,(H3,23,24)(H,25,26)