methyl 2-[2-[6-bromanyl-4-oxidanylidene-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[6-bromanyl-4-oxidanylidene-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[6-bromo-4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[[6-bromo-4-oxo-3-[(1R)-1-phenylethyl]-2-quinazolinyl]thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[6-bromo-4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[6-bromo-4-keto-3-[(1R)-1-phenylethyl]quinazolin-2-yl]thio]acetyl]amino]acetic acid methyl ester Formula: C21H20BrN3O4S MolecularWeight: 490.3702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC(=O)NCC(=O)OC

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC(=O)NCC(=O)OC

InChI

InChI=1S/C21H20BrN3O4S/c1-13(14-6-4-3-5-7-14)25-20(28)16-10-15(22)8-9-17(16)24-21(25)30-12-18(26)23-11-19(27)29-2/h3-10,13H,11-12H2,1-2H3,(H,23,26)/t13-/m1/s1