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

Systemtic Name: ethyl 4-[[3-[2-(methylamino)-2-oxidanylidene-ethyl]-2-oxidanylidene-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[3-[2-(methylamino)-2-oxo-ethyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carboxylate CAS Name: 4-[[3-[2-(methylamino)-2-oxoethyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-[2-(methylamino)-2-oxoethyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carboxylate Traditional Name: 4-[[2-keto-3-[2-keto-2-(methylamino)ethyl]-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H22N4O7S MolecularWeight: 426.44418

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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)NC

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O7S/c1-3-27-16(23)19-6-8-20(9-7-19)29(25,26)12-4-5-13-14(10-12)28-17(24)21(13)11-15(22)18-2/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,22)