methyl 4-(carbamimidoylsulfanylmethyl)benzoate

Systemtic Name: methyl 4-(carbamimidoylsulfanylmethyl)benzoate Openeye Name: methyl 4-(carbamimidoylsulfanylmethyl)benzoate CAS Name: 4-[(carbamimidoylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(carbamimidoylsulfanylmethyl)benzoate Traditional Name: 4-[(amidinothio)methyl]benzoic acid methyl ester Formula: C10H12N2O2S MolecularWeight: 224.27948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O2S/c1-14-9(13)8-4-2-7(3-5-8)6-15-10(11)12/h2-5H,6H2,1H3,(H3,11,12)