methyl 3-[2-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[2-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-[[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[2-[[2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]propionic acid methyl ester Formula: C21H19BrN2O5S MolecularWeight: 491.35496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC)Br

InChI

InChI=1S/C21H19BrN2O5S/c1-28-18-8-7-13(11-15(18)22)17(25)12-30-21-23-16-6-4-3-5-14(16)20(27)24(21)10-9-19(26)29-2/h3-8,11H,9-10,12H2,1-2H3