(2S)-2-(4-tert-butylphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one

Systemtic Name: (2S)-2-(4-tert-butylphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one Openeye Name: (2S)-2-(4-tert-butylphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one CAS Name: (2S)-2-(4-tert-butylphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-hydroxy-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-5-one IUPAC Name: (2S)-2-(4-tert-butylphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: (5S)-5-(4-tert-butylphenyl)-1-(6-ethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C28H26N2O3S2 MolecularWeight: 502.64764

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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=CS4)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=CS4)C5=CC=C(C=C5)C(C)(C)C

InChI

InChI=1S/C28H26N2O3S2/c1-5-16-8-13-19-21(15-16)35-27(29-19)30-23(17-9-11-18(12-10-17)28(2,3)4)22(25(32)26(30)33)24(31)20-7-6-14-34-20/h6-15,23,32H,5H2,1-4H3/t23-/m0/s1