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

Systemtic Name: methyl 5-(carbamimidoylsulfanylmethyl)-2-oxidanyl-benzoate hydrochloride Openeye Name: methyl 5-(carbamimidoylsulfanylmethyl)-2-hydroxy-benzoate hydrochloride CAS Name: 5-[(carbamimidoylthio)methyl]-2-hydroxybenzoic acid methyl ester hydrochloride IUPAC Name: methyl 5-(carbamimidoylsulfanylmethyl)-2-hydroxybenzoate hydrochloride Traditional Name: 5-[(amidinothio)methyl]-2-hydroxy-benzoic acid methyl ester hydrochloride Formula: C10H13ClN2O3S MolecularWeight: 276.73982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)CSC(=N)N)O.Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)CSC(=N)N)O.Cl

InChI

InChI=1S/C10H12N2O3S.ClH/c1-15-9(14)7-4-6(2-3-8(7)13)5-16-10(11)12;/h2-4,13H,5H2,1H3,(H3,11,12);1H