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

Systemtic Name: (2S)-2-(4-ethylphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-2-(4-ethylphenyl)-1-(5-methylisoxazol-3-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-2-(4-ethylphenyl)-1-(5-methyl-3-isoxazolyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2S)-2-(4-ethylphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-5-(4-ethylphenyl)-2-keto-1-(5-methylisoxazol-3-yl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C21H17N2O4S- MolecularWeight: 393.43568

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NOC(=C3)C)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2C3=NOC(=C3)C)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C21H18N2O4S/c1-3-13-6-8-14(9-7-13)18-17(19(24)15-5-4-10-28-15)20(25)21(26)23(18)16-11-12(2)27-22-16/h4-11,18,25H,3H2,1-2H3/p-1/t18-/m0/s1