methyl 3-(carbamimidoylsulfanylmethyl)-2-[2-(carbamimidoylsulfanylmethyl)-6-methoxycarbonyl-phenyl]benzoate

Systemtic Name: methyl 3-(carbamimidoylsulfanylmethyl)-2-[2-(carbamimidoylsulfanylmethyl)-6-methoxycarbonyl-phenyl]benzoate Openeye Name: methyl 3-(carbamimidoylsulfanylmethyl)-2-[2-(carbamimidoylsulfanylmethyl)-6-methoxycarbonyl-phenyl]benzoate CAS Name: 3-[(carbamimidoylthio)methyl]-2-[2-[(carbamimidoylthio)methyl]-6-methoxycarbonylphenyl]benzoic acid methyl ester IUPAC Name: methyl 3-(carbamimidoylsulfanylmethyl)-2-[2-(carbamimidoylsulfanylmethyl)-6-methoxycarbonylphenyl]benzoate Traditional Name: 3-[(amidinothio)methyl]-2-[2-[(amidinothio)methyl]-6-carbomethoxy-phenyl]benzoic acid methyl ester Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)CSC(=N)N)C2=C(C=CC=C2CSC(=N)N)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)CSC(=N)N)C2=C(C=CC=C2CSC(=N)N)C(=O)OC

InChI

InChI=1S/C20H22N4O4S2/c1-27-17(25)13-7-3-5-11(9-29-19(21)22)15(13)16-12(10-30-20(23)24)6-4-8-14(16)18(26)28-2/h3-8H,9-10H2,1-2H3,(H3,21,22)(H3,23,24)