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

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-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-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CSC4=C3CCCC4

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CSC4=C3CCCC4

InChI

InChI=1S/C19H18N2O3S/c1-11(17-20-15-8-4-2-7-13(15)18(22)21-17)24-19(23)14-10-25-16-9-5-3-6-12(14)16/h2,4,7-8,10-11H,3,5-6,9H2,1H3,(H,20,21,22)