ethyl (3S)-4-[(5-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]thiomorpholin-4-ium-3-carboxylate

Systemtic Name: ethyl (3S)-4-[(5-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]thiomorpholin-4-ium-3-carboxylate Openeye Name: ethyl (3S)-4-[(5-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl]thiomorpholin-4-ium-3-carboxylate CAS Name: (3S)-4-[(5-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl]-3-thiomorpholin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-4-[(5-nitro-2-oxo-1,3-benzoxazol-3-yl)methyl]thiomorpholin-4-ium-3-carboxylate Traditional Name: (3S)-4-[(2-keto-5-nitro-1,3-benzoxazol-3-yl)methyl]thiomorpholin-4-ium-3-carboxylic acid ethyl ester Formula: C15H18N3O6S+ MolecularWeight: 368.38492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CSCC[NH+]1CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CCOC(=O)[C@H]1CSCC[NH+]1CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C15H17N3O6S/c1-2-23-14(19)12-8-25-6-5-16(12)9-17-11-7-10(18(21)22)3-4-13(11)24-15(17)20/h3-4,7,12H,2,5-6,8-9H2,1H3/p+1/t12-/m1/s1