methyl (2R)-4-[(3-phenyl-2,1-benzoxazol-5-yl)carbonyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[(3-phenyl-2,1-benzoxazol-5-yl)carbonyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-(3-phenyl-2,1-benzoxazole-5-carbonyl)thiomorpholine-2-carboxylate CAS Name: (2R)-4-[oxo-(3-phenyl-2,1-benzoxazol-5-yl)methyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(3-phenyl-2,1-benzoxazole-5-carbonyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-(3-phenylanthranil-5-carbonyl)thiomorpholine-2-carboxylic acid methyl ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)C2=CC3=C(ON=C3C=C2)C4=CC=CC=C4

InChI

InChI=1S/C20H18N2O4S/c1-25-20(24)17-12-22(9-10-27-17)19(23)14-7-8-16-15(11-14)18(26-21-16)13-5-3-2-4-6-13/h2-8,11,17H,9-10,12H2,1H3/t17-/m1/s1