(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(thiophen-2-ylmethylsulfanyl)ethanoate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(thiophen-2-ylmethylsulfanyl)ethanoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(2-thienylmethylsulfanyl)acetate CAS Name: 2-(thiophen-2-ylmethylthio)acetic 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 2-(thiophen-2-ylmethylsulfanyl)acetate Traditional Name: 2-(2-thenylthio)acetic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C17H16N2O3S2 MolecularWeight: 360.45054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)CSCC3=CC=CS3

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)CSCC3=CC=CS3

InChI

InChI=1S/C17H16N2O3S2/c1-12-4-2-6-19-15(20)8-13(18-17(12)19)9-22-16(21)11-23-10-14-5-3-7-24-14/h2-8H,9-11H2,1H3