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

Systemtic Name: 2-[3-[(Z)-[1-(4-methoxyphenyl)-4-oxidanidyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-ylidene]methyl]indol-1-yl]ethanoate Openeye Name: 2-[3-[(Z)-[1-(4-methoxyphenyl)-4-oxido-6-oxo-2-thioxo-pyrimidin-5-ylidene]methyl]indol-1-yl]acetate CAS Name: 2-[3-[(Z)-[1-(4-methoxyphenyl)-4-oxido-6-oxo-2-sulfanylidene-5-pyrimidinylidene]methyl]-1-indolyl]acetate IUPAC Name: 2-[3-[(Z)-[1-(4-methoxyphenyl)-4-oxido-6-oxo-2-sulfanylidenepyrimidin-5-ylidene]methyl]indol-1-yl]acetate Traditional Name: 2-[3-[(Z)-[6-keto-1-(4-methoxyphenyl)-4-oxido-2-thioxo-pyrimidin-5-ylidene]methyl]indol-1-yl]acetate Formula: C22H15N3O5S-2 MolecularWeight: 433.4366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CC(=O)[O-])C(=NC2=S)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CN(C4=CC=CC=C43)CC(=O)[O-])/C(=NC2=S)[O-]

InChI

InChI=1S/C22H17N3O5S/c1-30-15-8-6-14(7-9-15)25-21(29)17(20(28)23-22(25)31)10-13-11-24(12-19(26)27)18-5-3-2-4-16(13)18/h2-11H,12H2,1H3,(H,26,27)(H,23,28,31)/p-2/b17-10-