methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-ethoxy-phenyl]ethanoate hydrochloride

Systemtic Name: methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-ethoxy-phenyl]ethanoate hydrochloride Openeye Name: methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-ethoxy-phenyl]acetate hydrochloride CAS Name: 2-[3-[(carbamimidoylthio)methyl]-4-ethoxyphenyl]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-ethoxyphenyl]acetate hydrochloride Traditional Name: 2-[3-[(amidinothio)methyl]-4-ethoxy-phenyl]acetic acid methyl ester hydrochloride Formula: C13H19ClN2O3S MolecularWeight: 318.81956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC(=O)OC)CSC(=N)N.Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC(=O)OC)CSC(=N)N.Cl

InChI

InChI=1S/C13H18N2O3S.ClH/c1-3-18-11-5-4-9(7-12(16)17-2)6-10(11)8-19-13(14)15;/h4-6H,3,7-8H2,1-2H3,(H3,14,15);1H