11-[(5Z)-5-[[2-[2-(2-hydroxyethyloxy)ethylamino]-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid

Systemtic Name: 11-[(5Z)-5-[[2-[2-(2-hydroxyethyloxy)ethylamino]-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Openeye Name: 11-[(5Z)-5-[[2-[2-(2-hydroxyethoxy)ethylamino]-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]undecanoic acid CAS Name: 11-[(5Z)-5-[[2-[2-(2-hydroxyethoxy)ethylamino]-4-oxo-3-pyrido[1,2-a]pyrimidinyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]undecanoic acid IUPAC Name: 11-[(5Z)-5-[[2-[2-(2-hydroxyethoxy)ethylamino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid Traditional Name: 11-[(5Z)-5-[[2-[2-(2-hydroxyethoxy)ethylamino]-4-keto-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]undecanoic acid Formula: C27H36N4O6S2 MolecularWeight: 576.72794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=C(C(=O)N2C=C1)C=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)NCCOCCO

Isomeric SMILES

C1=CC2=NC(=C(C(=O)N2C=C1)/C=C\3/C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)NCCOCCO

InChI

InChI=1S/C27H36N4O6S2/c32-16-18-37-17-13-28-24-20(25(35)30-14-10-8-11-22(30)29-24)19-21-26(36)31(27(38)39-21)15-9-6-4-2-1-3-5-7-12-23(33)34/h8,10-11,14,19,28,32H,1-7,9,12-13,15-18H2,(H,33,34)/b21-19-