methyl 3-[(N'-ethylcarbamimidoyl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(N'-ethylcarbamimidoyl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(N'-ethylcarbamimidoyl)sulfanylmethyl]benzoate CAS Name: 3-[[[amino(ethylimino)methyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(N'-ethylcarbamimidoyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(N'-ethylamidino)thio]methyl]benzoic acid methyl ester Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(N)SCC1=CC=CC(=C1)C(=O)OC

Isomeric SMILES

CCN=C(N)SCC1=CC=CC(=C1)C(=O)OC

InChI

InChI=1S/C12H16N2O2S/c1-3-14-12(13)17-8-9-5-4-6-10(7-9)11(15)16-2/h4-7H,3,8H2,1-2H3,(H2,13,14)