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

Systemtic Name: (2S)-2-(3,4-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-2-(3,4-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-2-(3,4-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-2-(3,4-dimethoxyphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-5-(3,4-dimethoxyphenyl)-1-(6-ethyl-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:

CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)[O-])C(=O)C4=CC=CS4)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N3[C@H](C(=C(C3=O)[O-])C(=O)C4=CC=CS4)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C26H22N2O5S2/c1-4-14-7-9-16-20(12-14)35-26(27-16)28-22(15-8-10-17(32-2)18(13-15)33-3)21(24(30)25(28)31)23(29)19-6-5-11-34-19/h5-13,22,30H,4H2,1-3H3/p-1/t22-/m0/s1