3-[2-[(4-carbamimidoylphenyl)methoxy]-5-methyl-thiophen-3-yl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid

Systemtic Name: 3-[2-[(4-carbamimidoylphenyl)methoxy]-5-methyl-thiophen-3-yl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid Openeye Name: 3-[2-[(4-carbamimidoylphenyl)methoxy]-5-methyl-3-thienyl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid CAS Name: 3-[2-[(4-carbamimidoylphenyl)methoxy]-5-methyl-3-thiophenyl]-6-(methylcarbamoyl)-2-pyridinecarboxylic acid IUPAC Name: 3-[2-[(4-carbamimidoylphenyl)methoxy]-5-methylthiophen-3-yl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid Traditional Name: 3-[2-(4-amidinobenzyl)oxy-5-methyl-3-thienyl]-6-(methylcarbamoyl)picolinic acid Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)OCC2=CC=C(C=C2)C(=N)N)C3=C(N=C(C=C3)C(=O)NC)C(=O)O

Isomeric SMILES

CC1=CC(=C(S1)OCC2=CC=C(C=C2)C(=N)N)C3=C(N=C(C=C3)C(=O)NC)C(=O)O

InChI

InChI=1S/C21H20N4O4S/c1-11-9-15(14-7-8-16(19(26)24-2)25-17(14)20(27)28)21(30-11)29-10-12-3-5-13(6-4-12)18(22)23/h3-9H,10H2,1-2H3,(H3,22,23)(H,24,26)(H,27,28)