methyl (2R)-4-[3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-1-oxopropyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)propanoyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C16H17ClN2O5S MolecularWeight: 384.83458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O

InChI

InChI=1S/C16H17ClN2O5S/c1-23-15(21)13-9-18(6-7-25-13)14(20)4-5-19-11-3-2-10(17)8-12(11)24-16(19)22/h2-3,8,13H,4-7,9H2,1H3/t13-/m1/s1