2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-3-(2-methylphenyl)-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-3-(2-methylphenyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]sulfanyl-5-ethyl-3-(o-tolyl)-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio]-5-ethyl-3-(2-methylphenyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-5-ethyl-3-(2-methylphenyl)-6-oxopyrimidin-4-olate Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]thio]-5-ethyl-6-keto-3-(o-tolyl)pyrimidin-4-olate Formula: C22H19N4O3S2- MolecularWeight: 451.54126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=NC3=CC=CC=C3S2)C4=CC=CC=C4C)[O-]

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=NC3=CC=CC=C3S2)C4=CC=CC=C4C)[O-]

InChI

InChI=1S/C22H20N4O3S2/c1-3-14-19(28)25-22(26(20(14)29)16-10-6-4-8-13(16)2)30-12-18(27)24-21-23-15-9-5-7-11-17(15)31-21/h4-11,29H,3,12H2,1-2H3,(H,23,24,27)/p-1