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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[4-(2-ethoxy-2-oxidanylidene-ethoxy)-3-methylsulfanyl-phenyl]ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-[4-(2-ethoxy-2-oxo-ethoxy)-3-methylsulfanyl-phenyl]acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-[4-(2-ethoxy-2-oxoethoxy)-3-(methylthio)phenyl]acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-[4-(2-ethoxy-2-oxoethoxy)-3-methylsulfanylphenyl]acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[4-(2-ethoxy-2-keto-ethoxy)-3-(methylthio)phenyl]acetate hydrochloride Formula: C20H23ClN3O5S- MolecularWeight: 452.93172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=C(C=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)SC.Cl

Isomeric SMILES

CCOC(=O)COC1=C(C=C(C=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)SC.Cl

InChI

InChI=1S/C20H23N3O5S.ClH/c1-3-27-17(24)11-28-15-9-6-13(10-16(15)29-2)18(20(25)26)23-14-7-4-12(5-8-14)19(21)22;/h4-10,18,23H,3,11H2,1-2H3,(H3,21,22)(H,25,26);1H/p-1