(2R)-3-methyl-2-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanyl-butanoic acid

Systemtic Name: (2R)-3-methyl-2-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanyl-butanoic acid Openeye Name: (2R)-3-methyl-2-[2-[(E)-styryl]quinazolin-4-yl]sulfanyl-butanoic acid CAS Name: (2R)-3-methyl-2-[[2-[(E)-2-phenylethenyl]-4-quinazolinyl]thio]butanoic acid IUPAC Name: (2R)-3-methyl-2-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanylbutanoic acid Traditional Name: (2R)-3-methyl-2-[[2-[(E)-styryl]quinazolin-4-yl]thio]butyric acid Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SC1=NC(=NC2=CC=CC=C21)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H](C(=O)O)SC1=NC(=NC2=CC=CC=C21)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O2S/c1-14(2)19(21(24)25)26-20-16-10-6-7-11-17(16)22-18(23-20)13-12-15-8-4-3-5-9-15/h3-14,19H,1-2H3,(H,24,25)/b13-12+/t19-/m1/s1