ethyl (3R,5R)-3-butyl-5-carbamimidoylsulfanyl-2-oxidanylidene-oxolane-3-carboxylate

Systemtic Name: ethyl (3R,5R)-3-butyl-5-carbamimidoylsulfanyl-2-oxidanylidene-oxolane-3-carboxylate Openeye Name: ethyl (3R,5R)-3-butyl-5-carbamimidoylsulfanyl-2-oxo-tetrahydrofuran-3-carboxylate CAS Name: (3R,5R)-3-butyl-5-(carbamimidoylthio)-2-oxo-3-oxolanecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,5R)-3-butyl-5-carbamimidoylsulfanyl-2-oxooxolane-3-carboxylate Traditional Name: (3R,5R)-5-(amidinothio)-3-butyl-2-keto-tetrahydrofuran-3-carboxylic acid ethyl ester Formula: C12H20N2O4S MolecularWeight: 288.3632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC(OC1=O)SC(=N)N)C(=O)OCC

Isomeric SMILES

CCCC[C@@]1(C[C@H](OC1=O)SC(=N)N)C(=O)OCC

InChI

InChI=1S/C12H20N2O4S/c1-3-5-6-12(9(15)17-4-2)7-8(18-10(12)16)19-11(13)14/h8H,3-7H2,1-2H3,(H3,13,14)/t8-,12-/m1/s1