2-[(4-carbamimidoylphenyl)amino]-2-(4-ethoxy-3-methylsulfanyl-phenyl)ethanoate hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(4-ethoxy-3-methylsulfanyl-phenyl)ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-(4-ethoxy-3-methylsulfanyl-phenyl)acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-[4-ethoxy-3-(methylthio)phenyl]acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-(4-ethoxy-3-methylsulfanylphenyl)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[4-ethoxy-3-(methylthio)phenyl]acetate hydrochloride Formula: C18H21ClN3O3S- MolecularWeight: 394.89564

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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.Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)SC.Cl

InChI

InChI=1S/C18H21N3O3S.ClH/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);1H/p-1