4-[4-oxidanylidene-5-[(4-oxidanylidene-2-piperidin-1-yl-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

Systemtic Name: 4-[4-oxidanylidene-5-[(4-oxidanylidene-2-piperidin-1-yl-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: 4-[4-oxo-5-[[4-oxo-2-(1-piperidyl)pyrido[1,2-a]pyrimidin-3-yl]methylene]-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[4-oxo-5-[[4-oxo-2-(1-piperidinyl)-3-pyrido[1,2-a]pyrimidinyl]methylidene]-2-sulfanylidene-3-thiazolidinyl]butanoate IUPAC Name: 4-[4-oxo-5-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[4-keto-5-[(4-keto-2-piperidino-pyrido[1,2-a]pyrimidin-3-yl)methylene]-2-thioxo-thiazolidin-3-yl]butyrate Formula: C21H21N4O4S2- MolecularWeight: 457.54584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CCCC(=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CCCC(=O)[O-]

InChI

InChI=1S/C21H22N4O4S2/c26-17(27)8-6-12-25-20(29)15(31-21(25)30)13-14-18(23-9-3-1-4-10-23)22-16-7-2-5-11-24(16)19(14)28/h2,5,7,11,13H,1,3-4,6,8-10,12H2,(H,26,27)/p-1