(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-ethyl-4-methyl-thiophene-2-carboxylate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-ethyl-4-methyl-thiophene-2-carboxylate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-ethyl-4-methyl-thiophene-2-carboxylate CAS Name: 5-ethyl-4-methyl-2-thiophenecarboxylic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-ethyl-4-methylthiophene-2-carboxylate Traditional Name: 5-ethyl-4-methyl-thiophene-2-carboxylic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C17H15BrN2O3S MolecularWeight: 407.2816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)C

InChI

InChI=1S/C17H15BrN2O3S/c1-3-13-10(2)6-14(24-13)17(22)23-9-12-7-16(21)20-8-11(18)4-5-15(20)19-12/h4-8H,3,9H2,1-2H3