methyl (2R)-4-[2-(4-oxidanylidenequinazolin-3-yl)ethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-(4-oxidanylidenequinazolin-3-yl)ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-(4-oxoquinazolin-3-yl)acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-(4-oxoquinazolin-3-yl)acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-(4-ketoquinazolin-3-yl)acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)CN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)CN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H17N3O4S/c1-23-16(22)13-8-18(6-7-24-13)14(20)9-19-10-17-12-5-3-2-4-11(12)15(19)21/h2-5,10,13H,6-9H2,1H3/t13-/m1/s1