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

Systemtic Name: ethyl (E)-3-[2-[[4-oxidanylidene-6-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanylmethyl]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[2-[(6-benzyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]prop-2-enoate CAS Name: (E)-3-[2-[[[4-oxo-6-(phenylmethyl)-1H-pyrimidin-2-yl]thio]methyl]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-[(6-benzyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[2-[[(6-benzyl-4-keto-1H-pyrimidin-2-yl)thio]methyl]phenyl]acrylic acid ethyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=CC=C1CSC2=NC(=O)C=C(N2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=CC=C1CSC2=NC(=O)C=C(N2)CC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O3S/c1-2-28-22(27)13-12-18-10-6-7-11-19(18)16-29-23-24-20(15-21(26)25-23)14-17-8-4-3-5-9-17/h3-13,15H,2,14,16H2,1H3,(H,24,25,26)/b13-12+