ethyl 5-(carbamimidoylsulfanylmethyl)-3-hexyl-2-oxidanylidene-oxolane-3-carboxylate hydrobromide

Systemtic Name: ethyl 5-(carbamimidoylsulfanylmethyl)-3-hexyl-2-oxidanylidene-oxolane-3-carboxylate hydrobromide Openeye Name: ethyl 5-(carbamimidoylsulfanylmethyl)-3-hexyl-2-oxo-tetrahydrofuran-3-carboxylate hydrobromide CAS Name: 5-[(carbamimidoylthio)methyl]-3-hexyl-2-oxo-3-oxolanecarboxylic acid ethyl ester hydrobromide IUPAC Name: ethyl 5-(carbamimidoylsulfanylmethyl)-3-hexyl-2-oxooxolane-3-carboxylate hydrobromide Traditional Name: 5-[(amidinothio)methyl]-3-hexyl-2-keto-tetrahydrofuran-3-carboxylic acid ethyl ester hydrobromide Formula: C15H27BrN2O4S MolecularWeight: 411.35488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(CC(OC1=O)CSC(=N)N)C(=O)OCC.Br

Isomeric SMILES

CCCCCCC1(CC(OC1=O)CSC(=N)N)C(=O)OCC.Br

InChI

InChI=1S/C15H26N2O4S.BrH/c1-3-5-6-7-8-15(12(18)20-4-2)9-11(21-13(15)19)10-22-14(16)17;/h11H,3-10H2,1-2H3,(H3,16,17);1H