2-[(4-carbamimidoylphenyl)amino]-2-[5-ethyl-2-(2-methylsulfanylethoxy)phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[5-ethyl-2-(2-methylsulfanylethoxy)phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[5-ethyl-2-(2-methylsulfanylethoxy)phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[5-ethyl-2-[2-(methylthio)ethoxy]phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[5-ethyl-2-(2-methylsulfanylethoxy)phenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[5-ethyl-2-[2-(methylthio)ethoxy]phenyl]acetic acid Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCSC)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCSC)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C20H25N3O3S/c1-3-13-4-9-17(26-10-11-27-2)16(12-13)18(20(24)25)23-15-7-5-14(6-8-15)19(21)22/h4-9,12,18,23H,3,10-11H2,1-2H3,(H3,21,22)(H,24,25)