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

Systemtic Name: ethyl 3-butyl-5-(carbamimidoylsulfanylmethyl)-2-oxidanylidene-oxolane-3-carboxylate hydrobromide Openeye Name: ethyl 3-butyl-5-(carbamimidoylsulfanylmethyl)-2-oxo-tetrahydrofuran-3-carboxylate hydrobromide CAS Name: 3-butyl-5-[(carbamimidoylthio)methyl]-2-oxo-3-oxolanecarboxylic acid ethyl ester hydrobromide IUPAC Name: ethyl 3-butyl-5-(carbamimidoylsulfanylmethyl)-2-oxooxolane-3-carboxylate hydrobromide Traditional Name: 5-[(amidinothio)methyl]-3-butyl-2-keto-tetrahydrofuran-3-carboxylic acid ethyl ester hydrobromide Formula: C13H23BrN2O4S MolecularWeight: 383.30172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC(OC1=O)CSC(=N)N)C(=O)OCC.Br

Isomeric SMILES

CCCCC1(CC(OC1=O)CSC(=N)N)C(=O)OCC.Br

InChI

InChI=1S/C13H22N2O4S.BrH/c1-3-5-6-13(10(16)18-4-2)7-9(19-11(13)17)8-20-12(14)15;/h9H,3-8H2,1-2H3,(H3,14,15);1H