methyl 2-[6-bromanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[6-bromanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[6-bromo-3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[6-bromo-3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[6-bromo-3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]acetic acid methyl ester Formula: C16H13BrN2O4S MolecularWeight: 409.25442

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1CC3=CC=CO3

Isomeric SMILES

COC(=O)CSC1=NC2=C(C=C(C=C2)Br)C(=O)N1CC3=CC=CO3

InChI

InChI=1S/C16H13BrN2O4S/c1-22-14(20)9-24-16-18-13-5-4-10(17)7-12(13)15(21)19(16)8-11-3-2-6-23-11/h2-7H,8-9H2,1H3