methyl 3-[(N'-prop-2-enylcarbamimidoyl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(N'-prop-2-enylcarbamimidoyl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(N'-allylcarbamimidoyl)sulfanylmethyl]benzoate CAS Name: 3-[[[amino(prop-2-enylimino)methyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(N'-prop-2-enylcarbamimidoyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(N'-allylamidino)thio]methyl]benzoic acid methyl ester Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O2S/c1-3-7-15-13(14)18-9-10-5-4-6-11(8-10)12(16)17-2/h3-6,8H,1,7,9H2,2H3,(H2,14,15)