ethyl (E)-3-[4-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]methyl]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]methyl]phenyl]acrylic acid ethyl ester Formula: C22H20N2O3S MolecularWeight: 392.4708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O3S/c1-2-27-21(26)13-12-16-8-10-17(11-9-16)15-28-22-23-19(14-20(25)24-22)18-6-4-3-5-7-18/h3-14H,2,15H2,1H3,(H,23,24,25)/b13-12+