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

Systemtic Name: (2R)-N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: (2R)-N-[2-(cyclopropylamino)-2-oxo-ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: (2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: (2R)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: (2R)-N-[2-(cyclopropylamino)-2-keto-ethyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=O)NC1CC1)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC(=O)NC1CC1)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O4S/c1-9(14(19)15-8-13(18)16-10-2-3-10)22-12-6-4-11(5-7-12)17(20)21/h4-7,9-10H,2-3,8H2,1H3,(H,15,19)(H,16,18)/t9-/m1/s1