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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-ethylsulfanyl-4-propan-2-yloxy-phenyl)ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-(3-ethylsulfanyl-4-isopropoxy-phenyl)acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-[3-(ethylthio)-4-propan-2-yloxyphenyl]acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-ethylsulfanyl-4-propan-2-yloxyphenyl)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-[3-(ethylthio)-4-isopropoxy-phenyl]acetate hydrochloride Formula: C20H25ClN3O3S- MolecularWeight: 422.9488

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)OC(C)C.Cl

Isomeric SMILES

CCSC1=C(C=CC(=C1)C(C(=O)[O-])NC2=CC=C(C=C2)C(=N)N)OC(C)C.Cl

InChI

InChI=1S/C20H25N3O3S.ClH/c1-4-27-17-11-14(7-10-16(17)26-12(2)3)18(20(24)25)23-15-8-5-13(6-9-15)19(21)22;/h5-12,18,23H,4H2,1-3H3,(H3,21,22)(H,24,25);1H/p-1