2-methoxyethyl 4-[[2-(2-butan-2-yloxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-methoxyethyl 4-[[2-(2-butan-2-yloxy-2-oxidanylidene-ethyl)-3-oxidanylidene-piperazin-1-yl]carbothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[[3-oxo-2-(2-oxo-2-sec-butoxy-ethyl)piperazine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxo-1-piperazinyl]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[2-(2-butan-2-yloxy-2-oxoethyl)-3-oxopiperazine-1-carbothioyl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-keto-2-(2-keto-2-sec-butoxy-ethyl)piperazine-1-carbothioyl]amino]butyric acid 2-methoxyethyl ester Formula: C18H29N3O7S MolecularWeight: 431.50376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC(=O)OCCOC

Isomeric SMILES

CCC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC(=O)OCCOC

InChI

InChI=1S/C18H29N3O7S/c1-4-12(2)28-16(24)11-13-17(25)19-7-8-21(13)18(29)20-14(22)5-6-15(23)27-10-9-26-3/h12-13H,4-11H2,1-3H3,(H,19,25)(H,20,22,29)