[4-oxidanylidene-3-[(E)-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)iminomethyl]chromen-7-yl] ethanoate

Systemtic Name: [4-oxidanylidene-3-[(E)-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)iminomethyl]chromen-7-yl] ethanoate Openeye Name: [4-oxo-3-[(E)-(4-oxo-2-thioxo-1H-pyrimidin-6-yl)iminomethyl]chromen-7-yl] acetate CAS Name: acetic acid [4-oxo-3-[(E)-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)iminomethyl]-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-[(E)-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)iminomethyl]chromen-7-yl] acetate Traditional Name: acetic acid [4-keto-3-[(E)-(4-keto-2-thioxo-1H-pyrimidin-6-yl)iminomethyl]chromen-7-yl] ester Formula: C16H11N3O5S MolecularWeight: 357.34064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)/C=N/C3=CC(=O)NC(=S)N3

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)/b17-6+