methyl 5-(carbamimidoylsulfanylmethyl)-2-propoxy-benzoate hydrochloride

Systemtic Name: methyl 5-(carbamimidoylsulfanylmethyl)-2-propoxy-benzoate hydrochloride Openeye Name: methyl 5-(carbamimidoylsulfanylmethyl)-2-propoxy-benzoate hydrochloride CAS Name: 5-[(carbamimidoylthio)methyl]-2-propoxybenzoic acid methyl ester hydrochloride IUPAC Name: methyl 5-(carbamimidoylsulfanylmethyl)-2-propoxybenzoate hydrochloride Traditional Name: 5-[(amidinothio)methyl]-2-propoxy-benzoic acid methyl ester hydrochloride Formula: C13H19ClN2O3S MolecularWeight: 318.81956

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CSC(=N)N)C(=O)OC.Cl

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CSC(=N)N)C(=O)OC.Cl

InChI

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