2-[(4-carbamimidoylphenyl)amino]-2-(4-ethoxy-3-methylsulfanyl-phenyl)ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(4-ethoxy-3-methylsulfanyl-phenyl)ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-(4-ethoxy-3-methylsulfanyl-phenyl)acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[4-ethoxy-3-(methylthio)phenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-(4-ethoxy-3-methylsulfanylphenyl)acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[4-ethoxy-3-(methylthio)phenyl]acetic acid Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)SC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)SC

InChI

InChI=1S/C18H21N3O3S/c1-3-24-14-9-6-12(10-15(14)25-2)16(18(22)23)21-13-7-4-11(5-8-13)17(19)20/h4-10,16,21H,3H2,1-2H3,(H3,19,20)(H,22,23)