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

Systemtic Name: methyl (2R)-4-(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-(4-oxo-3-phenyl-phthalazine-1-carbonyl)thiomorpholine-2-carboxylate CAS Name: (2R)-4-[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(4-oxo-3-phenylphthalazine-1-carbonyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-(4-keto-3-phenyl-phthalazine-1-carbonyl)thiomorpholine-2-carboxylic acid methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O4S/c1-28-21(27)17-13-23(11-12-29-17)20(26)18-15-9-5-6-10-16(15)19(25)24(22-18)14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3/t17-/m1/s1