(6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: (6-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: (6-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic 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 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid (4-keto-6-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)CCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)COC(=O)CCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17N3O3S2/c1-13-5-4-8-17-21-14(11-18(24)23(13)17)12-26-19(25)9-10-27-20-22-15-6-2-3-7-16(15)28-20/h2-8,11H,9-10,12H2,1H3