2-[2-[(4-carbamimidoylphenyl)methoxy]-4-methyl-phenyl]-5-(methylcarbamoyl)thiophene-3-carboxylic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)methoxy]-4-methyl-phenyl]-5-(methylcarbamoyl)thiophene-3-carboxylic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)methoxy]-4-methyl-phenyl]-5-(methylcarbamoyl)thiophene-3-carboxylic acid CAS Name: 2-[2-[(4-carbamimidoylphenyl)methoxy]-4-methylphenyl]-5-(methylcarbamoyl)-3-thiophenecarboxylic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)methoxy]-4-methylphenyl]-5-(methylcarbamoyl)thiophene-3-carboxylic acid Traditional Name: 2-[2-(4-amidinobenzyl)oxy-4-methyl-phenyl]-5-(methylcarbamoyl)-3-thenoic acid Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(C=C(S2)C(=O)NC)C(=O)O)OCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(C=C(S2)C(=O)NC)C(=O)O)OCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H21N3O4S/c1-12-3-8-15(19-16(22(27)28)10-18(30-19)21(26)25-2)17(9-12)29-11-13-4-6-14(7-5-13)20(23)24/h3-10H,11H2,1-2H3,(H3,23,24)(H,25,26)(H,27,28)