(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-ethoxyphenyl)sulfanylethanoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-ethoxyphenyl)sulfanylethanoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-ethoxyphenyl)sulfanylacetate CAS Name: 2-[(4-ethoxyphenyl)thio]acetic acid (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(4-ethoxyphenyl)sulfanylacetate Traditional Name: 2-(p-phenetylthio)acetic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)C

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)C

InChI

InChI=1S/C20H20N2O4S/c1-3-25-16-5-7-17(8-6-16)27-13-20(24)26-12-15-10-19(23)22-11-14(2)4-9-18(22)21-15/h4-11H,3,12-13H2,1-2H3