1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate CAS Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate Traditional Name: 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC4=C(S3)CCCCC4

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC4=C(S3)CCCCC4

InChI

InChI=1S/C20H20N2O3S/c1-12(18-21-15-9-6-5-8-14(15)19(23)22-18)25-20(24)17-11-13-7-3-2-4-10-16(13)26-17/h5-6,8-9,11-12H,2-4,7,10H2,1H3,(H,21,22,23)