ethyl (E)-3-[2-(carbamimidoylsulfanylmethyl)cyclohexyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[2-(carbamimidoylsulfanylmethyl)cyclohexyl]prop-2-enoate Openeye Name: ethyl (E)-3-[2-(carbamimidoylsulfanylmethyl)cyclohexyl]prop-2-enoate CAS Name: (E)-3-[2-[(carbamimidoylthio)methyl]cyclohexyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-(carbamimidoylsulfanylmethyl)cyclohexyl]prop-2-enoate Traditional Name: (E)-3-[2-[(amidinothio)methyl]cyclohexyl]acrylic acid ethyl ester Formula: C13H22N2O2S MolecularWeight: 270.39098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1CCCCC1CSC(=N)N

Isomeric SMILES

CCOC(=O)/C=C/C1CCCCC1CSC(=N)N

InChI

InChI=1S/C13H22N2O2S/c1-2-17-12(16)8-7-10-5-3-4-6-11(10)9-18-13(14)15/h7-8,10-11H,2-6,9H2,1H3,(H3,14,15)/b8-7+