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2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(2-methylsulfanylethoxy)phenyl]ethanoic acid

2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(2-methylsulfanylethoxy)phenyl]ethanoic acid

Systemtic Name:2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(2-methylsulfanylethoxy)phenyl]ethanoic acid
Openeye Name:2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(2-methylsulfanylethoxy)phenyl]acetic acid
CAS Name:2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-[2-(methylthio)ethoxy]phenyl]acetic acid
IUPAC Name:2-(4-carbamimidoylanilino)-2-[3-ethoxy-5-(2-methylsulfanylethoxy)phenyl]acetic acid
Traditional Name:2-(4-amidinoanilino)-2-[3-ethoxy-5-[2-(methylthio)ethoxy]phenyl]acetic acid
Formula: C20H25N3O4S
MolecularWeight: 403.4952
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C20H25N3O4S/c1-3-26-16-10-14(11-17(12-16)27-8-9-28-2)18(20(24)25)23-15-6-4-13(5-7-15)19(21)22/h4-7,10-12,18,23H,3,8-9H2,1-2H3,(H3,21,22)(H,24,25)


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