5-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-6-methyl-2-[(1R)-1-phenylethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 5-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-6-methyl-2-[(1R)-1-phenylethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 5-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]-6-methyl-2-[(1R)-1-phenylethyl]sulfanyl-pyrimidin-4-olate CAS Name: 5-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-6-methyl-2-[[(1R)-1-phenylethyl]thio]-4-pyrimidinolate IUPAC Name: 5-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-6-methyl-2-[(1R)-1-phenylethyl]sulfanylpyrimidin-4-olate Traditional Name: 5-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl]-6-methyl-2-[[(1R)-1-phenylethyl]thio]pyrimidin-4-olate Formula: C24H23N4O3S2- MolecularWeight: 479.59442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CC3=C(N=C(N=C3[O-])SC(C)C4=CC=CC=C4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CC3=C(N=C(N=C3[O-])S[C@H](C)C4=CC=CC=C4)C

InChI

InChI=1S/C24H24N4O3S2/c1-4-31-17-10-11-19-20(12-17)33-24(26-19)27-21(29)13-18-14(2)25-23(28-22(18)30)32-15(3)16-8-6-5-7-9-16/h5-12,15H,4,13H2,1-3H3,(H,25,28,30)(H,26,27,29)/p-1/t15-/m1/s1