(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4H-thieno[3,2-c]chromene-2-carboxylate CAS Name: 4H-thieno[3,2-c][1]benzopyran-2-carboxylic 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 4H-thieno[3,2-c]chromene-2-carboxylate Traditional Name: 4H-thieno[3,2-c]chromene-2-carboxylic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H13BrN2O4S MolecularWeight: 469.30792

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C3=CC=CC=C3O1)SC(=C2)C(=O)OCC4=CC(=O)N5C=C(C=CC5=N4)Br

Isomeric SMILES

C1C2=C(C3=CC=CC=C3O1)SC(=C2)C(=O)OCC4=CC(=O)N5C=C(C=CC5=N4)Br

InChI

InChI=1S/C21H13BrN2O4S/c22-13-5-6-18-23-14(8-19(25)24(18)9-13)11-28-21(26)17-7-12-10-27-16-4-2-1-3-15(16)20(12)29-17/h1-9H,10-11H2