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

Systemtic Name: 2-[(3S)-5,5-dimethyl-2-oxidanylidene-oxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]ethanamide Openeye Name: 2-[(3S)-5,5-dimethyl-2-oxo-tetrahydrofuran-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide CAS Name: 2-[(3S)-5,5-dimethyl-2-oxo-3-oxolanyl]-N-[(4-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-[(3S)-5,5-dimethyl-2-oxooxolan-3-yl]-N-[(4-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-[(3S)-2-keto-5,5-dimethyl-tetrahydrofuran-3-yl]-N-[(4-nitrophenyl)thiocarbamoyl]acetamide Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(=O)O1)CC(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(C[C@H](C(=O)O1)CC(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C15H17N3O5S/c1-15(2)8-9(13(20)23-15)7-12(19)17-14(24)16-10-3-5-11(6-4-10)18(21)22/h3-6,9H,7-8H2,1-2H3,(H2,16,17,19,24)/t9-/m1/s1