(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)CCCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)CCCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21N3O3S/c1-15-7-6-12-25-20(26)13-16(23-22(15)25)14-28-21(27)11-5-4-10-19-24-17-8-2-3-9-18(17)29-19/h2-3,6-9,12-13H,4-5,10-11,14H2,1H3