methyl 2-[(7-bromanyl-9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(7-bromanyl-9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(7-bromo-9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate CAS Name: 2-[(7-bromo-9-methoxy-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(7-bromo-9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate Traditional Name: 2-[(7-bromo-9-methoxy-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)thio]acetic acid methyl ester Formula: C21H17BrN2O4S MolecularWeight: 473.33968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)Br)CC3=C(O2)N=C(N=C3SCC(=O)OC)C4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=CC(=C1)Br)CC3=C(O2)N=C(N=C3SCC(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C21H17BrN2O4S/c1-26-16-10-14(22)8-13-9-15-20(28-18(13)16)23-19(12-6-4-3-5-7-12)24-21(15)29-11-17(25)27-2/h3-8,10H,9,11H2,1-2H3