(2S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxidanylidene-2-(4-propan-2-ylphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)N2C(C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=NN=C(S1)N2[C@H](C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C21H19N3O3S2/c1-11(2)13-6-8-14(9-7-13)17-16(18(25)15-5-4-10-28-15)19(26)20(27)24(17)21-23-22-12(3)29-21/h4-11,17,26H,1-3H3/p-1/t17-/m0/s1