[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] thieno[3,2-b][1]benzothiole-2-carboxylate

Systemtic Name: [(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] thieno[3,2-b][1]benzothiole-2-carboxylate Openeye Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] thieno[3,2-b]benzothiophene-2-carboxylate CAS Name: 2-thieno[3,2-b][1]benzothiolecarboxylic acid [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] thieno[3,2-b][1]benzothiole-2-carboxylate Traditional Name: thieno[3,2-b]benzothiophene-2-carboxylic acid [(1S)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C21H14N2O3S2 MolecularWeight: 406.47746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC4=C(S3)C5=CC=CC=C5S4

Isomeric SMILES

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC4=C(S3)C5=CC=CC=C5S4

InChI

InChI=1S/C21H14N2O3S2/c1-11(19-22-14-8-4-2-6-12(14)20(24)23-19)26-21(25)17-10-16-18(28-17)13-7-3-5-9-15(13)27-16/h2-11H,1H3,(H,22,23,24)/t11-/m0/s1