ethyl (E)-4-[[2-(2-butan-2-yloxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl (E)-4-[[2-(2-butan-2-yloxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-[[3-oxo-2-(2-oxo-2-sec-butoxy-ethyl)piperazine-1-carbothioyl]amino]but-2-enoate CAS Name: (E)-4-[[[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxo-1-piperazinyl]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxopiperazine-1-carbothioyl]amino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[[3-keto-2-(2-keto-2-sec-butoxy-ethyl)piperazine-1-carbothioyl]amino]but-2-enoic acid ethyl ester Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C=CC(=O)OCC

Isomeric SMILES

CCC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)/C=C/C(=O)OCC

InChI

InChI=1S/C17H25N3O6S/c1-4-11(3)26-15(23)10-12-16(24)18-8-9-20(12)17(27)19-13(21)6-7-14(22)25-5-2/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,18,24)(H,19,21,27)/b7-6+