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

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C19H18N2O3S/c1-11(17-20-14-8-4-3-7-13(14)18(22)21-17)24-19(23)16-10-12-6-2-5-9-15(12)25-16/h3-4,7-8,10-11H,2,5-6,9H2,1H3,(H,20,21,22)