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

Systemtic Name: 4-[(E)-3-oxidanidyl-3-oxidanylidene-2-[(6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-1-enyl]benzoate Openeye Name: 4-[(E)-3-oxido-3-oxo-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-1-enyl]benzoate CAS Name: 4-[(E)-3-oxido-3-oxo-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)thio]prop-1-enyl]benzoate IUPAC Name: 4-[(E)-3-oxido-3-oxo-2-[(6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)sulfanyl]prop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-2-[(6-keto-4,5-dihydro-1H-pyrimidin-2-yl)thio]-3-oxido-prop-1-enyl]benzoate Formula: C14H10N2O5S-2 MolecularWeight: 318.3046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O5S/c17-11-5-6-15-14(16-11)22-10(13(20)21)7-8-1-3-9(4-2-8)12(18)19/h1-4,7H,5-6H2,(H,18,19)(H,20,21)(H,15,16,17)/p-2/b10-7+