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

Systemtic Name: ethyl 4-[(2-oxidanylidene-3-prop-2-enyl-1,3-benzoxazol-6-yl)sulfonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3-allyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]piperazine-1-carboxylate CAS Name: 4-[(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)sulfonyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-oxo-3-prop-2-enyl-1,3-benzoxazol-6-yl)sulfonyl]piperazine-1-carboxylate Traditional Name: 4-[(3-allyl-2-keto-1,3-benzoxazol-6-yl)sulfonyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H21N3O6S MolecularWeight: 395.43014

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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=C

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O6S/c1-3-7-20-14-6-5-13(12-15(14)26-17(20)22)27(23,24)19-10-8-18(9-11-19)16(21)25-4-2/h3,5-6,12H,1,4,7-11H2,2H3