ethyl 4-[[3-(2-azanyl-2-oxidanylidene-ethyl)-2-oxidanylidene-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[3-(2-azanyl-2-oxidanylidene-ethyl)-2-oxidanylidene-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[3-(2-amino-2-oxo-ethyl)-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carboxylate CAS Name: 4-[[3-(2-amino-2-oxoethyl)-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(2-amino-2-oxoethyl)-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carboxylate Traditional Name: 4-[[3-(2-amino-2-keto-ethyl)-2-keto-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H20N4O7S MolecularWeight: 412.4176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)N

InChI

InChI=1S/C16H20N4O7S/c1-2-26-15(22)18-5-7-19(8-6-18)28(24,25)11-3-4-12-13(9-11)27-16(23)20(12)10-14(17)21/h3-4,9H,2,5-8,10H2,1H3,(H2,17,21)