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

Systemtic Name: ethyl 5-(carbamimidoylsulfanylmethyl)-3-heptyl-2-oxidanylidene-oxolane-3-carboxylate hydrobromide Openeye Name: ethyl 5-(carbamimidoylsulfanylmethyl)-3-heptyl-2-oxo-tetrahydrofuran-3-carboxylate hydrobromide CAS Name: 5-[(carbamimidoylthio)methyl]-3-heptyl-2-oxo-3-oxolanecarboxylic acid ethyl ester hydrobromide IUPAC Name: ethyl 5-(carbamimidoylsulfanylmethyl)-3-heptyl-2-oxooxolane-3-carboxylate hydrobromide Traditional Name: 5-[(amidinothio)methyl]-3-heptyl-2-keto-tetrahydrofuran-3-carboxylic acid ethyl ester hydrobromide Formula: C16H29BrN2O4S MolecularWeight: 425.38146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CC(OC1=O)CSC(=N)N)C(=O)OCC.Br

Isomeric SMILES

CCCCCCCC1(CC(OC1=O)CSC(=N)N)C(=O)OCC.Br

InChI

InChI=1S/C16H28N2O4S.BrH/c1-3-5-6-7-8-9-16(13(19)21-4-2)10-12(22-14(16)20)11-23-15(17)18;/h12H,3-11H2,1-2H3,(H3,17,18);1H