2-[3-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]indol-1-yl]ethanoate

Systemtic Name: 2-[3-[(E)-(4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene)methyl]indol-1-yl]ethanoate Openeye Name: 2-[3-[(E)-(4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene)methyl]indol-1-yl]acetate CAS Name: 2-[3-[(E)-(4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene)methyl]-1-indolyl]acetate IUPAC Name: 2-[3-[(E)-(4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene)methyl]indol-1-yl]acetate Traditional Name: 2-[3-[(E)-(6-keto-4-oxido-2-thioxo-pyrimidin-5-ylidene)methyl]indol-1-yl]acetate Formula: C15H9N3O4S-2 MolecularWeight: 327.31466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC(=O)[O-])C=C3C(=O)NC(=S)N=C3[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC(=O)[O-])/C=C\3/C(=O)NC(=S)N=C3[O-]

InChI

InChI=1S/C15H11N3O4S/c19-12(20)7-18-6-8(9-3-1-2-4-11(9)18)5-10-13(21)16-15(23)17-14(10)22/h1-6H,7H2,(H,19,20)(H2,16,17,21,22,23)/p-2