methyl 3-[4-oxidanylidene-2-[(2R)-1-oxidanylidene-1-phenyl-propan-2-yl]sulfanyl-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[4-oxidanylidene-2-[(2R)-1-oxidanylidene-1-phenyl-propan-2-yl]sulfanyl-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-[(1R)-1-methyl-2-oxo-2-phenyl-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[4-oxo-2-[[(2R)-1-oxo-1-phenylpropan-2-yl]thio]-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-oxo-2-[(2R)-1-oxo-1-phenylpropan-2-yl]sulfanylquinazolin-3-yl]propanoate Traditional Name: 3-[4-keto-2-[[(1R)-2-keto-1-methyl-2-phenyl-ethyl]thio]quinazolin-3-yl]propionic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

Isomeric SMILES

C[C@H](C(=O)C1=CC=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CCC(=O)OC

InChI

InChI=1S/C21H20N2O4S/c1-14(19(25)15-8-4-3-5-9-15)28-21-22-17-11-7-6-10-16(17)20(26)23(21)13-12-18(24)27-2/h3-11,14H,12-13H2,1-2H3/t14-/m1/s1