[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C19H13N3O5S MolecularWeight: 395.38862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O5S/c1-10(17-20-14-5-3-2-4-13(14)18(23)21-17)27-19(24)16-9-11-8-12(22(25)26)6-7-15(11)28-16/h2-10H,1H3,(H,20,21,23)/t10-/m1/s1