[(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [(1R)-2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C17H14N2O5S2 MolecularWeight: 390.43346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CS1)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O5S2/c1-10(16(20)18-9-13-3-2-6-25-13)24-17(21)15-8-11-7-12(19(22)23)4-5-14(11)26-15/h2-8,10H,9H2,1H3,(H,18,20)/t10-/m1/s1