(E)-2-[(6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]-3-pyridin-3-yl-prop-2-enoate

Systemtic Name: (E)-2-[(6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]-3-pyridin-3-yl-prop-2-enoate Openeye Name: (E)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]-3-(3-pyridyl)prop-2-enoate CAS Name: (E)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)thio]-3-(3-pyridinyl)-2-propenoate IUPAC Name: (E)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]-3-pyridin-3-ylprop-2-enoate Traditional Name: (E)-2-[(6-keto-4,5-dihydro-1H-pyrimidin-2-yl)thio]-3-(3-pyridyl)acrylate Formula: C12H10N3O3S- MolecularWeight: 276.2911

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(NC1=O)SC(=CC2=CN=CC=C2)C(=O)[O-]

Isomeric SMILES

C1CN=C(NC1=O)S/C(=C/C2=CN=CC=C2)/C(=O)[O-]

InChI

InChI=1S/C12H11N3O3S/c16-10-3-5-14-12(15-10)19-9(11(17)18)6-8-2-1-4-13-7-8/h1-2,4,6-7H,3,5H2,(H,17,18)(H,14,15,16)/p-1/b9-6+