(2R)-2-(4-tert-butylphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)carbonyl-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: (2R)-2-(4-tert-butylphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)carbonyl-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2R)-2-(4-tert-butylphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2R)-2-(4-tert-butylphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-[(5-methyl-2-furanyl)-oxomethyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2R)-2-(4-tert-butylphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5R)-5-(4-tert-butylphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-2-keto-4-(5-methyl-2-furoyl)-3-pyrrolin-3-olate Formula: C29H27N2O4S- MolecularWeight: 499.60068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)[O-])C(=O)C4=CC=C(O4)C)C5=CC=C(C=C5)C(C)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N3[C@@H](C(=C(C3=O)[O-])C(=O)C4=CC=C(O4)C)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C29H28N2O4S/c1-6-17-8-13-20-22(15-17)36-28(30-20)31-24(18-9-11-19(12-10-18)29(3,4)5)23(26(33)27(31)34)25(32)21-14-7-16(2)35-21/h7-15,24,33H,6H2,1-5H3/p-1/t24-/m1/s1