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

Systemtic Name: methyl 2-[(7-bromanyl-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(7-bromo-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate CAS Name: 2-[(7-bromo-2-phenyl-5H-[1]benzopyrano[2,3-d]pyrimidin-4-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(7-bromo-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)sulfanyl]acetate Traditional Name: 2-[(7-bromo-2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)thio]acetic acid methyl ester Formula: C20H15BrN2O3S MolecularWeight: 443.3137

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=NC2=C1CC3=C(O2)C=CC(=C3)Br)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CSC1=NC(=NC2=C1CC3=C(O2)C=CC(=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C20H15BrN2O3S/c1-25-17(24)11-27-20-15-10-13-9-14(21)7-8-16(13)26-19(15)22-18(23-20)12-5-3-2-4-6-12/h2-9H,10-11H2,1H3