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

Systemtic Name: (2S)-1-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-1-(6-ethyl-1,3-benzothiazol-2-yl)-5-oxo-2-(p-tolyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-1-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-1-(6-ethyl-1,3-benzothiazol-2-yl)-2-keto-5-(p-tolyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C25H19N2O3S2- MolecularWeight: 459.55996

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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=C(C=C5)C

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=C(C=C5)C

InChI

InChI=1S/C25H20N2O3S2/c1-3-15-8-11-17-19(13-15)32-25(26-17)27-21(16-9-6-14(2)7-10-16)20(23(29)24(27)30)22(28)18-5-4-12-31-18/h4-13,21,29H,3H2,1-2H3/p-1/t21-/m0/s1