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

Systemtic Name: methyl 4-[(E)-3-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 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]benzoic acid methyl ester IUPAC Name: methyl 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]benzoic acid methyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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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)OC)CSC3=NC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)C(=O)OC)CSC3=NC=CC=N3

InChI

InChI=1S/C23H20N2O4S/c1-28-21-11-9-18(14-19(21)15-30-23-24-12-3-13-25-23)20(26)10-6-16-4-7-17(8-5-16)22(27)29-2/h3-14H,15H2,1-2H3/b10-6+