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

Systemtic Name: (2S)-1-(6-ethyl-1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-1-(6-ethyl-1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-(6-ethyl-1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-1-(6-ethyl-1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-1-(6-ethyl-1,3-benzothiazol-2-yl)-5-(3-hydroxyphenyl)-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C24H17N2O4S2- MolecularWeight: 461.53278

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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(=CC=C5)O

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(=CC=C5)O

InChI

InChI=1S/C24H18N2O4S2/c1-2-13-8-9-16-18(11-13)32-24(25-16)26-20(14-5-3-6-15(27)12-14)19(22(29)23(26)30)21(28)17-7-4-10-31-17/h3-12,20,27,29H,2H2,1H3/p-1/t20-/m0/s1