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

Systemtic Name: 2-[[2-[5-(5-carbamimidoyl-2-methylsulfanyl-thiophen-3-yl)sulfonylpyridin-3-yl]-3-methyl-phenyl]methoxy]ethanoic acid Openeye Name: 2-[[2-[5-[(5-carbamimidoyl-2-methylsulfanyl-3-thienyl)sulfonyl]-3-pyridyl]-3-methyl-phenyl]methoxy]acetic acid CAS Name: 2-[[2-[5-[[5-carbamimidoyl-2-(methylthio)-3-thiophenyl]sulfonyl]-3-pyridinyl]-3-methylphenyl]methoxy]acetic acid IUPAC Name: 2-[[2-[5-(5-carbamimidoyl-2-methylsulfanylthiophen-3-yl)sulfonylpyridin-3-yl]-3-methylphenyl]methoxy]acetic acid Traditional Name: 2-[2-[5-[[5-amidino-2-(methylthio)-3-thienyl]sulfonyl]-3-pyridyl]-3-methyl-benzyl]oxyacetic acid Formula: C21H21N3O5S3 MolecularWeight: 491.60354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5S3/c1-12-4-3-5-13(10-29-11-18(25)26)19(12)14-6-15(9-24-8-14)32(27,28)17-7-16(20(22)23)31-21(17)30-2/h3-9H,10-11H2,1-2H3,(H3,22,23)(H,25,26)