methyl (2R)-4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-(3-methyl-4-oxo-phthalazine-1-carbonyl)thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(3-methyl-4-oxophthalazine-1-carbonyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-(4-keto-3-methyl-phthalazine-1-carbonyl)thiomorpholine-2-carboxylic acid methyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCSC(C3)C(=O)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCS[C@H](C3)C(=O)OC

InChI

InChI=1S/C16H17N3O4S/c1-18-14(20)11-6-4-3-5-10(11)13(17-18)15(21)19-7-8-24-12(9-19)16(22)23-2/h3-6,12H,7-9H2,1-2H3/t12-/m1/s1