(2R)-2-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanylbutanoate

Systemtic Name: (2R)-2-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanylbutanoate Openeye Name: (2R)-2-[2-[(E)-styryl]quinazolin-4-yl]sulfanylbutanoate CAS Name: (2R)-2-[[2-[(E)-2-phenylethenyl]-4-quinazolinyl]thio]butanoate IUPAC Name: (2R)-2-[2-[(E)-2-phenylethenyl]quinazolin-4-yl]sulfanylbutanoate Traditional Name: (2R)-2-[[2-[(E)-styryl]quinazolin-4-yl]thio]butyrate Formula: C20H17N2O2S- MolecularWeight: 349.42618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=NC(=NC2=CC=CC=C21)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O2S/c1-2-17(20(23)24)25-19-15-10-6-7-11-16(15)21-18(22-19)13-12-14-8-4-3-5-9-14/h3-13,17H,2H2,1H3,(H,23,24)/p-1/b13-12+/t17-/m1/s1