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

Systemtic Name: (2S)-2-(3-chlorophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-2-(3-chlorophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-2-(3-chlorophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-2-(3-chlorophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-5-(3-chlorophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C24H16ClN2O3S2- MolecularWeight: 479.97844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C3=O)[O-])C(=O)C4=CC=CS4)C5=CC(=CC=C5)Cl)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3[C@H](C(=C(C3=O)[O-])C(=O)C4=CC=CS4)C5=CC(=CC=C5)Cl)C

InChI

InChI=1S/C24H17ClN2O3S2/c1-12-9-13(2)19-17(10-12)32-24(26-19)27-20(14-5-3-6-15(25)11-14)18(22(29)23(27)30)21(28)16-7-4-8-31-16/h3-11,20,29H,1-2H3/p-1/t20-/m0/s1