(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C18H15ClN2O3S MolecularWeight: 374.8413

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C18H15ClN2O3S/c19-10-5-6-12-14(7-10)20-16(21-17(12)22)8-24-18(23)13-9-25-15-4-2-1-3-11(13)15/h5-7,9H,1-4,8H2,(H,20,21,22)