methyl (E)-4-carbamimidoylsulfanylbut-2-enoate

Systemtic Name: methyl (E)-4-carbamimidoylsulfanylbut-2-enoate Openeye Name: methyl (E)-4-carbamimidoylsulfanylbut-2-enoate CAS Name: (E)-4-(carbamimidoylthio)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-carbamimidoylsulfanylbut-2-enoate Traditional Name: (E)-4-(amidinothio)but-2-enoic acid methyl ester Formula: C6H10N2O2S MolecularWeight: 174.2208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCSC(=N)N

Isomeric SMILES

COC(=O)/C=C/CSC(=N)N

InChI

InChI=1S/C6H10N2O2S/c1-10-5(9)3-2-4-11-6(7)8/h2-3H,4H2,1H3,(H3,7,8)/b3-2+