(8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: (8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: (8-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid (8-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid (4-keto-8-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C22H17ClN2O3S MolecularWeight: 424.89998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=CC(=O)N2C=C1)COC(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl

Isomeric SMILES

CC1=CC2=NC(=CC(=O)N2C=C1)COC(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl

InChI

InChI=1S/C22H17ClN2O3S/c1-14-8-9-25-19(10-14)24-16(11-20(25)26)12-28-21(27)13-29-18-7-3-5-15-4-2-6-17(23)22(15)18/h2-11H,12-13H2,1H3