methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-ethoxy-phenyl]ethanoate

Systemtic Name: methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-ethoxy-phenyl]ethanoate Openeye Name: methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-ethoxy-phenyl]acetate CAS Name: 2-[3-[(carbamimidoylthio)methyl]-4-ethoxyphenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(carbamimidoylsulfanylmethyl)-4-ethoxyphenyl]acetate Traditional Name: 2-[3-[(amidinothio)methyl]-4-ethoxy-phenyl]acetic acid methyl ester Formula: C13H18N2O3S MolecularWeight: 282.35862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC(=O)OC)CSC(=N)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC(=O)OC)CSC(=N)N

InChI

InChI=1S/C13H18N2O3S/c1-3-18-11-5-4-9(7-12(16)17-2)6-10(11)8-19-13(14)15/h4-6H,3,7-8H2,1-2H3,(H3,14,15)