(2S)-2-(4-tert-butylphenyl)-5-oxidanylidene-1-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: (2S)-2-(4-tert-butylphenyl)-5-oxidanylidene-1-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2S)-2-(4-tert-butylphenyl)-5-oxo-1-(1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2S)-2-(4-tert-butylphenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-1-(1,3,4-thiadiazol-2-yl)-2H-pyrrol-4-olate IUPAC Name: (2S)-2-(4-tert-butylphenyl)-5-oxo-1-(1,3,4-thiadiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5S)-5-(4-tert-butylphenyl)-2-keto-4-(2-thenoyl)-1-(1,3,4-thiadiazol-2-yl)-3-pyrrolin-3-olate Formula: C21H18N3O3S2- MolecularWeight: 424.51592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NN=CS3)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2C3=NN=CS3)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C21H19N3O3S2/c1-21(2,3)13-8-6-12(7-9-13)16-15(17(25)14-5-4-10-28-14)18(26)19(27)24(16)20-23-22-11-29-20/h4-11,16,26H,1-3H3/p-1/t16-/m0/s1