2-[[4-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]methoxy]ethanoic acid

Systemtic Name: 2-[[4-[3-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylphenyl]-3-methyl-phenyl]methoxy]ethanoic acid Openeye Name: 2-[[4-[3-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]phenyl]-3-methyl-phenyl]methoxy]acetic acid CAS Name: 2-[[4-[3-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]phenyl]-3-methylphenyl]methoxy]acetic acid IUPAC Name: 2-[[4-[3-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylphenyl]-3-methylphenyl]methoxy]acetic acid Traditional Name: 2-[4-[3-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]phenyl]-3-methyl-benzyl]oxyacetic acid Formula: C22H22N2O5S3 MolecularWeight: 490.61548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)COCC(=O)O)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC

Isomeric SMILES

CC1=C(C=CC(=C1)COCC(=O)O)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC

InChI

InChI=1S/C22H22N2O5S3/c1-13-8-14(11-29-12-20(25)26)6-7-17(13)15-4-3-5-16(9-15)32(27,28)19-10-18(21(23)24)31-22(19)30-2/h3-10H,11-12H2,1-2H3,(H3,23,24)(H,25,26)