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

Systemtic Name: methyl 4-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]benzoate Openeye Name: methyl 4-[(7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]benzoate CAS Name: 4-[[(7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanylmethyl]benzoate Traditional Name: 4-[[(4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methylthio]methyl]benzoic acid methyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CSCC3=CC=C(C=C3)C(=O)OC)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CSCC3=CC=C(C=C3)C(=O)OC)C=C1

InChI

InChI=1S/C19H18N2O3S/c1-13-3-8-17-20-16(9-18(22)21(17)10-13)12-25-11-14-4-6-15(7-5-14)19(23)24-2/h3-10H,11-12H2,1-2H3