dimethyl 2,5-bis(carbamimidoylsulfanylmethyl)benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2,5-bis(carbamimidoylsulfanylmethyl)benzene-1,4-dicarboxylate Openeye Name: dimethyl 2,5-bis(carbamimidoylsulfanylmethyl)benzene-1,4-dicarboxylate CAS Name: 2,5-bis[(carbamimidoylthio)methyl]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2,5-bis(carbamimidoylsulfanylmethyl)benzene-1,4-dicarboxylate Traditional Name: 2,5-bis[(amidinothio)methyl]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C14H18N4O4S2 MolecularWeight: 370.44712

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1CSC(=N)N)C(=O)OC)CSC(=N)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1CSC(=N)N)C(=O)OC)CSC(=N)N

InChI

InChI=1S/C14H18N4O4S2/c1-21-11(19)9-3-8(6-24-14(17)18)10(12(20)22-2)4-7(9)5-23-13(15)16/h3-4H,5-6H2,1-2H3,(H3,15,16)(H3,17,18)