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

Systemtic Name: (2S)-1-(6-ethyl-1,3-benzothiazol-2-yl)-2-(3-nitrophenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-1-(6-ethyl-1,3-benzothiazol-2-yl)-2-(3-nitrophenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-(6-ethyl-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-ethyl-1,3-benzothiazol-2-yl)-2-(3-nitrophenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-1-(6-ethyl-1,3-benzothiazol-2-yl)-2-keto-5-(3-nitrophenyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C24H16N3O5S2- MolecularWeight: 490.53094

Click to see the large picture

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

InChI

InChI=1S/C24H17N3O5S2/c1-2-13-8-9-16-18(11-13)34-24(25-16)26-20(14-5-3-6-15(12-14)27(31)32)19(22(29)23(26)30)21(28)17-7-4-10-33-17/h3-12,20,29H,2H2,1H3/p-1/t20-/m0/s1