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

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C18H16N2O3S/c21-17-12-6-2-3-7-13(12)19-16(20-17)10-23-18(22)15-9-11-5-1-4-8-14(11)24-15/h2-3,6-7,9H,1,4-5,8,10H2,(H,19,20,21)