(2S)-2-(2,5-dimethoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: (2S)-2-(2,5-dimethoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-2-(2,5-dimethoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-2-(2,5-dimethoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-2-(2,5-dimethoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-5-(2,5-dimethoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C26H21N2O5S2- MolecularWeight: 505.58534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C3=O)[O-])C(=O)C4=CC=CS4)C5=C(C=CC(=C5)OC)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3[C@H](C(=C(C3=O)[O-])C(=O)C4=CC=CS4)C5=C(C=CC(=C5)OC)OC)C

InChI

InChI=1S/C26H22N2O5S2/c1-13-10-14(2)21-19(11-13)35-26(27-21)28-22(16-12-15(32-3)7-8-17(16)33-4)20(24(30)25(28)31)23(29)18-6-5-9-34-18/h5-12,22,30H,1-4H3/p-1/t22-/m0/s1