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

Systemtic Name: (E)-3-(4-chlorophenyl)-2-[(6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoate Openeye Name: (E)-3-(4-chlorophenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoate CAS Name: (E)-3-(4-chlorophenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)thio]-2-propenoate IUPAC Name: (E)-3-(4-chlorophenyl)-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-2-enoate Traditional Name: (E)-3-(4-chlorophenyl)-2-[(6-keto-4,5-dihydro-1H-pyrimidin-2-yl)thio]acrylate Formula: C13H10ClN2O3S- MolecularWeight: 309.7481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN2O3S/c14-9-3-1-8(2-4-9)7-10(12(18)19)20-13-15-6-5-11(17)16-13/h1-4,7H,5-6H2,(H,18,19)(H,15,16,17)/p-1/b10-7+