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

Systemtic Name: ethyl (E)-3-[[4-oxidanylidene-6-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]prop-2-enoate Openeye Name: ethyl (E)-3-[(6-benzyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoate CAS Name: (E)-3-[[4-oxo-6-(phenylmethyl)-1H-pyrimidin-2-yl]thio]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(6-benzyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoate Traditional Name: (E)-3-[(6-benzyl-4-keto-1H-pyrimidin-2-yl)thio]acrylic acid ethyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CSC1=NC(=O)C=C(N1)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/SC1=NC(=O)C=C(N1)CC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O3S/c1-2-21-15(20)8-9-22-16-17-13(11-14(19)18-16)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,17,18,19)/b9-8+