(6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate

Systemtic Name: (6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Openeye Name: (6-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cyclohexanecarboxylic acid (6-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cyclohexanecarboxylic acid (4-keto-6-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)C3(CCCCC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)C3(CCCCC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H25N3O3S/c1-17-8-7-11-21-26-18(14-23(29)28(17)21)16-31-24(30)25(12-5-2-6-13-25)15-22-27-19-9-3-4-10-20(19)32-22/h3-4,7-11,14H,2,5-6,12-13,15-16H2,1H3