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

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[[3-oxidanylidene-2-(2-oxidanylidene-2-phenethyloxy-ethyl)piperazin-1-yl]carbothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-[[3-oxo-2-(2-oxo-2-phenethyloxy-ethyl)piperazine-1-carbothioyl]amino]but-2-enoate CAS Name: (E)-4-oxo-4-[[[3-oxo-2-(2-oxo-2-phenethyloxyethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[[3-oxo-2-(2-oxo-2-phenethyloxyethyl)piperazine-1-carbothioyl]amino]but-2-enoate Traditional Name: (E)-4-keto-4-[[3-keto-2-(2-keto-2-phenethyloxy-ethyl)piperazine-1-carbothioyl]amino]but-2-enoic acid ethyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O6S/c1-2-29-18(26)9-8-17(25)23-21(31)24-12-11-22-20(28)16(24)14-19(27)30-13-10-15-6-4-3-5-7-15/h3-9,16H,2,10-14H2,1H3,(H,22,28)(H,23,25,31)/b9-8+