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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)[O-])C(=O)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3[C@H](C(=C(C3=O)[O-])C(=O)C4=CC=CS4)C5=CC=CC=C5

InChI

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