[(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: [(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [(1S)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C19H16N2O3S MolecularWeight: 352.40694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C=CSC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)/C=C/SC3=CC=CC=C3

InChI

InChI=1S/C19H16N2O3S/c1-13(18-20-16-10-6-5-9-15(16)19(23)21-18)24-17(22)11-12-25-14-7-3-2-4-8-14/h2-13H,1H3,(H,20,21,23)/b12-11+/t13-/m0/s1