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

Systemtic Name: ethyl (E)-4-[[2-(2-decoxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-but-2-enoate Openeye Name: ethyl (E)-4-[[2-(2-decoxy-2-oxo-ethyl)-3-oxo-piperazine-1-carbothioyl]amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[2-(2-decoxy-2-oxoethyl)-3-oxo-1-piperazinyl]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[2-(2-decoxy-2-oxoethyl)-3-oxopiperazine-1-carbothioyl]amino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[2-(2-decoxy-2-keto-ethyl)-3-keto-piperazine-1-carbothioyl]amino]-4-keto-but-2-enoic acid ethyl ester Formula: C23H37N3O6S MolecularWeight: 483.62138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C=CC(=O)OCC

Isomeric SMILES

CCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)/C=C/C(=O)OCC

InChI

InChI=1S/C23H37N3O6S/c1-3-5-6-7-8-9-10-11-16-32-21(29)17-18-22(30)24-14-15-26(18)23(33)25-19(27)12-13-20(28)31-4-2/h12-13,18H,3-11,14-17H2,1-2H3,(H,24,30)(H,25,27,33)/b13-12+