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

Systemtic Name: methyl 5-(carbamimidoylsulfanylmethyl)-2-oxidanyl-benzoate Openeye Name: methyl 5-(carbamimidoylsulfanylmethyl)-2-hydroxy-benzoate CAS Name: 5-[(carbamimidoylthio)methyl]-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 5-(carbamimidoylsulfanylmethyl)-2-hydroxybenzoate Traditional Name: 5-[(amidinothio)methyl]-2-hydroxy-benzoic acid methyl ester Formula: C10H12N2O3S MolecularWeight: 240.27888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O3S/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)