[(2S)-1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [(2S)-1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] 5-nitrothiophene-2-carboxylate Openeye Name: [(1S)-1-methyl-2-(1-naphthylamino)-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [(2S)-1-(1-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(1-naphthylamino)ethyl] ester Formula: C18H14N2O5S MolecularWeight: 370.37916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=CC=CC=C21)OC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC2=CC=CC=C21)OC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O5S/c1-11(25-18(22)15-9-10-16(26-15)20(23)24)17(21)19-14-8-4-6-12-5-2-3-7-13(12)14/h2-11H,1H3,(H,19,21)/t11-/m0/s1