methyl (2R)-4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiomorpholin-4-ium-2-carboxylate

Systemtic Name: methyl (2R)-4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]thiomorpholin-4-ium-2-carboxylate Openeye Name: methyl (2R)-4-[(4-oxo-1H-quinazolin-2-yl)methyl]thiomorpholin-4-ium-2-carboxylate CAS Name: (2R)-4-[(4-oxo-1H-quinazolin-2-yl)methyl]-2-thiomorpholin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(4-oxo-1H-quinazolin-2-yl)methyl]thiomorpholin-4-ium-2-carboxylate Traditional Name: (2R)-4-[(4-keto-1H-quinazolin-2-yl)methyl]thiomorpholin-4-ium-2-carboxylic acid methyl ester Formula: C15H18N3O3S+ MolecularWeight: 320.38672

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C[NH+](CCS1)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

COC(=O)[C@H]1C[NH+](CCS1)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C15H17N3O3S/c1-21-15(20)12-8-18(6-7-22-12)9-13-16-11-5-3-2-4-10(11)14(19)17-13/h2-5,12H,6-9H2,1H3,(H,16,17,19)/p+1/t12-/m1/s1