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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-methylsulfanyl-4-propan-2-yloxy-phenyl)ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-(4-isopropoxy-3-methylsulfanyl-phenyl)acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-[3-(methylthio)-4-propan-2-yloxyphenyl]acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-methylsulfanyl-4-propan-2-yloxyphenyl)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[4-isopropoxy-3-(methylthio)phenyl]acetate hydrochloride Formula: C19H23ClN3O3S- MolecularWeight: 408.92222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)SC.Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)SC.Cl

InChI

InChI=1S/C19H23N3O3S.ClH/c1-11(2)25-15-9-6-13(10-16(15)26-3)17(19(23)24)22-14-7-4-12(5-8-14)18(20)21;/h4-11,17,22H,1-3H3,(H3,20,21)(H,23,24);1H/p-1