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

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl thieno[3,2-b][1]benzothiole-2-carboxylate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl thieno[3,2-b]benzothiophene-2-carboxylate CAS Name: 2-thieno[3,2-b][1]benzothiolecarboxylic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl thieno[3,2-b][1]benzothiole-2-carboxylate Traditional Name: thieno[3,2-b]benzothiophene-2-carboxylic acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C21H14N2O3S2 MolecularWeight: 406.47746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3=CC4=C(S3)C5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3=CC4=C(S3)C5=CC=CC=C5S4

InChI

InChI=1S/C21H14N2O3S2/c1-11-5-4-7-13-18(11)22-17(23-20(13)24)10-26-21(25)16-9-15-19(28-16)12-6-2-3-8-14(12)27-15/h2-9H,10H2,1H3,(H,22,23,24)