2-[2-[(6-methoxycarbonyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-4-olate

Systemtic Name: 2-[2-[(6-methoxycarbonyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-5-phenyl-1H-pyrimidin-4-olate Openeye Name: 2-[2-[(6-methoxycarbonyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-6-oxo-5-phenyl-1H-pyrimidin-4-olate CAS Name: 2-[[2-[(6-methoxycarbonyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]-6-oxo-5-phenyl-1H-pyrimidin-4-olate IUPAC Name: 2-[2-[(6-methoxycarbonyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-oxo-5-phenyl-1H-pyrimidin-4-olate Traditional Name: 2-[[2-[(6-carbomethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl]thio]-6-keto-5-phenyl-1H-pyrimidin-4-olate Formula: C21H15N4O5S2- MolecularWeight: 467.4976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=C(C(=O)N3)C4=CC=CC=C4)[O-]

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=C(C(=O)N3)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C21H16N4O5S2/c1-30-19(29)12-7-8-13-14(9-12)32-21(22-13)23-15(26)10-31-20-24-17(27)16(18(28)25-20)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,22,23,26)(H2,24,25,27,28)/p-1