methyl 4-(7-bromanyl-9-methoxy-4-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)benzoate

Systemtic Name: methyl 4-(7-bromanyl-9-methoxy-4-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)benzoate Openeye Name: methyl 4-(7-bromo-9-methoxy-4-thioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)benzoate CAS Name: 4-(7-bromo-9-methoxy-4-sulfanylidene-1,5-dihydro[1]benzopyrano[2,3-d]pyrimidin-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(7-bromo-9-methoxy-4-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)benzoate Traditional Name: 4-(7-bromo-9-methoxy-4-thioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-2-yl)benzoic acid methyl ester Formula: C20H15BrN2O4S MolecularWeight: 459.3131

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)Br)CC3=C(O2)NC(=NC3=S)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=C2C(=CC(=C1)Br)CC3=C(O2)NC(=NC3=S)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C20H15BrN2O4S/c1-25-15-9-13(21)7-12-8-14-18(27-16(12)15)22-17(23-19(14)28)10-3-5-11(6-4-10)20(24)26-2/h3-7,9H,8H2,1-2H3,(H,22,23,28)