1-(5-chloranylthiophen-2-yl)-5-(2,6-diethylphenyl)-3-[(4-hydroxyphenyl)methyl]-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-5-(2,6-diethylphenyl)-3-[(4-hydroxyphenyl)methyl]-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(5-chloro-2-thienyl)-5-(2,6-diethylphenyl)-3-[(4-hydroxyphenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(5-chloro-2-thiophenyl)-5-(2,6-diethylphenyl)-3-[(4-hydroxyphenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(5-chlorothiophen-2-yl)-5-(2,6-diethylphenyl)-3-[(4-hydroxyphenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(5-chloro-2-thienyl)-5-(2,6-diethylphenyl)-3-(4-hydroxybenzyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C28H27ClN2O5S MolecularWeight: 539.04238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=CC=C(S4)Cl)(CC5=CC=C(C=C5)O)C(=O)O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=O)C3C(C2=O)C(NC3C4=CC=C(S4)Cl)(CC5=CC=C(C=C5)O)C(=O)O

InChI

InChI=1S/C28H27ClN2O5S/c1-3-16-6-5-7-17(4-2)24(16)31-25(33)21-22(26(31)34)28(27(35)36,14-15-8-10-18(32)11-9-15)30-23(21)19-12-13-20(29)37-19/h5-13,21-23,30,32H,3-4,14H2,1-2H3,(H,35,36)