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

Systemtic Name: (2S)-1-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitrophenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-1-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitrophenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitrophenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-1-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitrophenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-2-keto-1-(6-methyl-1,3-benzothiazol-2-yl)-5-(3-nitrophenyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C23H14N3O5S2- MolecularWeight: 476.50436

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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)[N+](=O)[O-]

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)[N+](=O)[O-]

InChI

InChI=1S/C23H15N3O5S2/c1-12-7-8-15-17(10-12)33-23(24-15)25-19(13-4-2-5-14(11-13)26(30)31)18(21(28)22(25)29)20(27)16-6-3-9-32-16/h2-11,19,28H,1H3/p-1/t19-/m0/s1