methyl 3,5-bis(bromanyl)-2-(carbamimidoylsulfanylmethyl)-4,6-dimethoxy-benzoate

Systemtic Name: methyl 3,5-bis(bromanyl)-2-(carbamimidoylsulfanylmethyl)-4,6-dimethoxy-benzoate Openeye Name: methyl 3,5-dibromo-2-(carbamimidoylsulfanylmethyl)-4,6-dimethoxy-benzoate CAS Name: 3,5-dibromo-2-[(carbamimidoylthio)methyl]-4,6-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 3,5-dibromo-2-(carbamimidoylsulfanylmethyl)-4,6-dimethoxybenzoate Traditional Name: 2-[(amidinothio)methyl]-3,5-dibromo-4,6-dimethoxy-benzoic acid methyl ester Formula: C12H14Br2N2O4S MolecularWeight: 442.12356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1C(=O)OC)CSC(=N)N)Br)OC)Br

Isomeric SMILES

COC1=C(C(=C(C(=C1C(=O)OC)CSC(=N)N)Br)OC)Br

InChI

InChI=1S/C12H14Br2N2O4S/c1-18-9-6(11(17)20-3)5(4-21-12(15)16)7(13)10(19-2)8(9)14/h4H2,1-3H3,(H3,15,16)