(2R)-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: (2R)-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: (2R)-N-[2-(2-furylmethylamino)-2-oxo-ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: (2R)-N-[2-(2-furanylmethylamino)-2-oxoethyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: (2R)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: (2R)-N-[2-(2-furfurylamino)-2-keto-ethyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=O)NCC1=CC=CO1)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC(=O)NCC1=CC=CO1)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5S/c1-11(25-14-6-4-12(5-7-14)19(22)23)16(21)18-10-15(20)17-9-13-3-2-8-24-13/h2-8,11H,9-10H2,1H3,(H,17,20)(H,18,21)/t11-/m1/s1