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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)methoxy]-5-methyl-thiophen-3-yl]-5-(methylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)methoxy]-5-methyl-3-thienyl]-5-(methylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylphenyl)methoxy]-5-methyl-3-thiophenyl]-5-(methylcarbamoyl)benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)methoxy]-5-methylthiophen-3-yl]-5-(methylcarbamoyl)benzoic acid Traditional Name: 2-[2-(4-amidinobenzyl)oxy-5-methyl-3-thienyl]-5-(methylcarbamoyl)benzoic acid Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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