4-[(E)-3-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: 4-[(E)-3-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: 4-[(E)-3-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[4-methoxy-3-[(2-pyrimidinylthio)methyl]phenyl]-3-oxoprop-1-enyl]benzoate IUPAC Name: 4-[(E)-3-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[4-methoxy-3-[(2-pyrimidylthio)methyl]phenyl]prop-1-enyl]benzoate Formula: C22H17N2O4S- MolecularWeight: 405.44638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)C(=O)[O-])CSC3=NC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)C(=O)[O-])CSC3=NC=CC=N3

InChI

InChI=1S/C22H18N2O4S/c1-28-20-10-8-17(13-18(20)14-29-22-23-11-2-12-24-22)19(25)9-5-15-3-6-16(7-4-15)21(26)27/h2-13H,14H2,1H3,(H,26,27)/p-1/b9-5+