4-[5-[(9-methyl-4-oxidanylidene-2-piperidin-1-yl-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

Systemtic Name: 4-[5-[(9-methyl-4-oxidanylidene-2-piperidin-1-yl-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: 4-[5-[[9-methyl-4-oxo-2-(1-piperidyl)pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-[5-[[9-methyl-4-oxo-2-(1-piperidinyl)-3-pyrido[1,2-a]pyrimidinyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoate IUPAC Name: 4-[5-[(9-methyl-4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-[4-keto-5-[(4-keto-9-methyl-2-piperidino-pyrido[1,2-a]pyrimidin-3-yl)methylene]-2-thioxo-thiazolidin-3-yl]butyrate Formula: C22H23N4O4S2- MolecularWeight: 471.57242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCCC(=O)[O-])N4CCCCC4

Isomeric SMILES

CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCCC(=O)[O-])N4CCCCC4

InChI

InChI=1S/C22H24N4O4S2/c1-14-7-5-11-25-18(14)23-19(24-9-3-2-4-10-24)15(20(25)29)13-16-21(30)26(22(31)32-16)12-6-8-17(27)28/h5,7,11,13H,2-4,6,8-10,12H2,1H3,(H,27,28)/p-1