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

Systemtic Name: (E)-3-[(4-oxidanylidene-6-phenethyl-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid Openeye Name: (E)-3-[(4-oxo-6-phenethyl-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid CAS Name: (E)-3-[(4-oxo-6-phenethyl-1H-pyrimidin-2-yl)thio]-2-propenoic acid IUPAC Name: (E)-3-[(4-oxo-6-phenethyl-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoic acid Traditional Name: (E)-3-[(4-keto-6-phenethyl-1H-pyrimidin-2-yl)thio]acrylic acid Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC(=O)N=C(N2)SC=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC(=O)N=C(N2)S/C=C/C(=O)O

InChI

InChI=1S/C15H14N2O3S/c18-13-10-12(7-6-11-4-2-1-3-5-11)16-15(17-13)21-9-8-14(19)20/h1-5,8-10H,6-7H2,(H,19,20)(H,16,17,18)/b9-8+