2-[(3S,5R)-5-(butoxymethyl)-2-oxidanylidene-oxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]ethanamide

Systemtic Name: 2-[(3S,5R)-5-(butoxymethyl)-2-oxidanylidene-oxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]ethanamide Openeye Name: 2-[(3S,5R)-5-(butoxymethyl)-2-oxo-tetrahydrofuran-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide CAS Name: 2-[(3S,5R)-5-(butoxymethyl)-2-oxo-3-oxolanyl]-N-[(4-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-[(3S,5R)-5-(butoxymethyl)-2-oxooxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-[(3S,5R)-5-(butoxymethyl)-2-keto-tetrahydrofuran-3-yl]-N-[(4-nitrophenyl)thiocarbamoyl]acetamide Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC1CC(C(=O)O1)CC(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC[C@H]1C[C@H](C(=O)O1)CC(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O6S/c1-2-3-8-26-11-15-9-12(17(23)27-15)10-16(22)20-18(28)19-13-4-6-14(7-5-13)21(24)25/h4-7,12,15H,2-3,8-11H2,1H3,(H2,19,20,22,28)/t12-,15+/m0/s1