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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O3S/c1-2-27-21(26)12-11-16-7-6-8-17(13-16)15-28-22-23-19(14-20(25)24-22)18-9-4-3-5-10-18/h3-14H,2,15H2,1H3,(H,23,24,25)/b12-11+