[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)C1=CC2=C(S1)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O5S/c1-3-15-13(17)8(2)21-14(18)12-7-9-6-10(16(19)20)4-5-11(9)22-12/h4-8H,3H2,1-2H3,(H,15,17)/t8-/m0/s1