ethyl (3S,5S)-5-(carbamimidoylsulfanylmethyl)-3-(3-methylbutyl)-2-oxidanylidene-oxolane-3-carboxylate

Systemtic Name: ethyl (3S,5S)-5-(carbamimidoylsulfanylmethyl)-3-(3-methylbutyl)-2-oxidanylidene-oxolane-3-carboxylate Openeye Name: ethyl (3S,5S)-5-(carbamimidoylsulfanylmethyl)-3-isopentyl-2-oxo-tetrahydrofuran-3-carboxylate CAS Name: (3S,5S)-5-[(carbamimidoylthio)methyl]-3-(3-methylbutyl)-2-oxo-3-oxolanecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,5S)-5-(carbamimidoylsulfanylmethyl)-3-(3-methylbutyl)-2-oxooxolane-3-carboxylate Traditional Name: (3S,5S)-5-[(amidinothio)methyl]-3-isoamyl-2-keto-tetrahydrofuran-3-carboxylic acid ethyl ester Formula: C14H24N2O4S MolecularWeight: 316.41636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(OC1=O)CSC(=N)N)CCC(C)C

Isomeric SMILES

CCOC(=O)[C@@]1(C[C@H](OC1=O)CSC(=N)N)CCC(C)C

InChI

InChI=1S/C14H24N2O4S/c1-4-19-11(17)14(6-5-9(2)3)7-10(20-12(14)18)8-21-13(15)16/h9-10H,4-8H2,1-3H3,(H3,15,16)/t10-,14-/m0/s1