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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)OCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C19H18N2O3S/c1-11-6-7-15-12(8-11)9-16(25-15)19(23)24-10-17-20-14-5-3-2-4-13(14)18(22)21-17/h2-5,9,11H,6-8,10H2,1H3,(H,20,21,22)/t11-/m0/s1