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

Systemtic Name: 2-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methylsulfanyl-phenyl]-2-[(4-carbamimidoylphenyl)amino]ethanoate hydrochloride Openeye Name: 2-[4-(2-amino-2-oxo-ethoxy)-3-methylsulfanyl-phenyl]-2-(4-carbamimidoylanilino)acetate hydrochloride CAS Name: 2-[4-(2-amino-2-oxoethoxy)-3-(methylthio)phenyl]-2-(4-carbamimidoylanilino)acetate hydrochloride IUPAC Name: 2-[4-(2-amino-2-oxoethoxy)-3-methylsulfanylphenyl]-2-(4-carbamimidoylanilino)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[4-(2-amino-2-keto-ethoxy)-3-(methylthio)phenyl]acetate hydrochloride Formula: C18H20ClN4O4S- MolecularWeight: 423.8938

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)OCC(=O)N.Cl

Isomeric SMILES

CSC1=C(C=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)OCC(=O)N.Cl

InChI

InChI=1S/C18H20N4O4S.ClH/c1-27-14-8-11(4-7-13(14)26-9-15(19)23)16(18(24)25)22-12-5-2-10(3-6-12)17(20)21;/h2-8,16,22H,9H2,1H3,(H2,19,23)(H3,20,21)(H,24,25);1H/p-1