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

Systemtic Name: (2S)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-2-phenyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-phenyl-2H-pyrrol-4-olate IUPAC Name: (2S)-1-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-2-keto-1-(6-methyl-1,3-benzothiazol-2-yl)-5-phenyl-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C23H15N2O3S2- MolecularWeight: 431.5068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)[O-])C(=O)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CC1=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/C23H16N2O3S2/c1-13-9-10-15-17(12-13)30-23(24-15)25-19(14-6-3-2-4-7-14)18(21(27)22(25)28)20(26)16-8-5-11-29-16/h2-12,19,27H,1H3/p-1/t19-/m0/s1