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

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl (6S)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-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)SC=C2C(=O)OCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC=C2C(=O)OCC3=NC(=O)C4=CC=CC=C4N3

InChI

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