6-[(7-acetyloxy-4-oxidanylidene-chromen-3-yl)methylideneamino]-2-sulfanylidene-1H-pyrimidin-4-olate

Systemtic Name: 6-[(7-acetyloxy-4-oxidanylidene-chromen-3-yl)methylideneamino]-2-sulfanylidene-1H-pyrimidin-4-olate Openeye Name: 6-[(7-acetoxy-4-oxo-chromen-3-yl)methyleneamino]-2-thioxo-1H-pyrimidin-4-olate CAS Name: 6-[(7-acetyloxy-4-oxo-1-benzopyran-3-yl)methylideneamino]-2-sulfanylidene-1H-pyrimidin-4-olate IUPAC Name: 6-[(7-acetyloxy-4-oxochromen-3-yl)methylideneamino]-2-sulfanylidene-1H-pyrimidin-4-olate Traditional Name: 6-[(7-acetoxy-4-keto-chromen-3-yl)methyleneamino]-2-thioxo-1H-pyrimidin-4-olate Formula: C16H10N3O5S- MolecularWeight: 356.3327

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C=NC3=CC(=NC(=S)N3)[O-]

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C=NC3=CC(=NC(=S)N3)[O-]

InChI

InChI=1S/C16H11N3O5S/c1-8(20)24-10-2-3-11-12(4-10)23-7-9(15(11)22)6-17-13-5-14(21)19-16(25)18-13/h2-7H,1H3,(H2,18,19,21,25)/p-1