(2S)-2-(3-bromophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: (2S)-2-(3-bromophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-2-(3-bromophenyl)-1-(5-methylisoxazol-3-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-2-(3-bromophenyl)-1-(5-methyl-3-isoxazolyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-2-(3-bromophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-5-(3-bromophenyl)-2-keto-1-(5-methylisoxazol-3-yl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C19H12BrN2O4S- MolecularWeight: 444.27858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)N2C(C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC(=NO1)N2[C@H](C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C19H13BrN2O4S/c1-10-8-14(21-26-10)22-16(11-4-2-5-12(20)9-11)15(18(24)19(22)25)17(23)13-6-3-7-27-13/h2-9,16,24H,1H3/p-1/t16-/m0/s1