3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)propyl 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate

Systemtic Name: 3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)propyl 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate Openeye Name: 3-(2-methyl-4-oxo-quinazolin-3-yl)propyl 3,6-dichlorobenzothiophene-2-carboxylate CAS Name: 3,6-dichloro-1-benzothiophene-2-carboxylic acid 3-(2-methyl-4-oxo-3-quinazolinyl)propyl ester IUPAC Name: 3-(2-methyl-4-oxoquinazolin-3-yl)propyl 3,6-dichloro-1-benzothiophene-2-carboxylate Traditional Name: 3,6-dichlorobenzothiophene-2-carboxylic acid 3-(4-keto-2-methyl-quinazolin-3-yl)propyl ester Formula: C21H16Cl2N2O3S MolecularWeight: 447.33434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CCCOC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CCCOC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H16Cl2N2O3S/c1-12-24-16-6-3-2-5-14(16)20(26)25(12)9-4-10-28-21(27)19-18(23)15-8-7-13(22)11-17(15)29-19/h2-3,5-8,11H,4,9-10H2,1H3