methyl 2-butoxy-5-(carbamimidoylsulfanylmethyl)benzoate

Systemtic Name: methyl 2-butoxy-5-(carbamimidoylsulfanylmethyl)benzoate Openeye Name: methyl 2-butoxy-5-(carbamimidoylsulfanylmethyl)benzoate CAS Name: 2-butoxy-5-[(carbamimidoylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 2-butoxy-5-(carbamimidoylsulfanylmethyl)benzoate Traditional Name: 5-[(amidinothio)methyl]-2-butoxy-benzoic acid methyl ester Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CSC(=N)N)C(=O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CSC(=N)N)C(=O)OC

InChI

InChI=1S/C14H20N2O3S/c1-3-4-7-19-12-6-5-10(9-20-14(15)16)8-11(12)13(17)18-2/h5-6,8H,3-4,7,9H2,1-2H3,(H3,15,16)