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

Systemtic Name: ethyl (E)-3-[(4-oxidanylidene-6-phenethyl-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoate Openeye Name: ethyl (E)-3-[(4-oxo-6-phenethyl-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoate CAS Name: (E)-3-[(4-oxo-6-phenethyl-1H-pyrimidin-2-yl)thio]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(4-oxo-6-phenethyl-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoate Traditional Name: (E)-3-[(4-keto-6-phenethyl-1H-pyrimidin-2-yl)thio]acrylic acid ethyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CSC1=NC(=O)C=C(N1)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/SC1=NC(=O)C=C(N1)CCC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O3S/c1-2-22-16(21)10-11-23-17-18-14(12-15(20)19-17)9-8-13-6-4-3-5-7-13/h3-7,10-12H,2,8-9H2,1H3,(H,18,19,20)/b11-10+