[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [(1S)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C20H16N2O3S MolecularWeight: 364.41764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OC(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)O[C@@H](C)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H16N2O3S/c1-11-13-7-4-6-10-16(13)26-17(11)20(24)25-12(2)18-21-15-9-5-3-8-14(15)19(23)22-18/h3-10,12H,1-2H3,(H,21,22,23)/t12-/m0/s1