[(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-azanyl-5-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C15H15N3O5S MolecularWeight: 349.3617

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CS1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

InChI

InChI=1S/C15H15N3O5S/c1-9(14(19)17-8-11-3-2-6-24-11)23-15(20)12-7-10(18(21)22)4-5-13(12)16/h2-7,9H,8,16H2,1H3,(H,17,19)/t9-/m1/s1