(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic 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 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=CSC4=C3CCCC4)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=CSC4=C3CCCC4)C=C1

InChI

InChI=1S/C19H18N2O3S/c1-12-6-7-17-20-13(8-18(22)21(17)9-12)10-24-19(23)15-11-25-16-5-3-2-4-14(15)16/h6-9,11H,2-5,10H2,1H3