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

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-3-[(4-hydroxyphenyl)methyl]-4,6-bis(oxidanylidene)-5-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-benzyl-1-(5-chloro-2-thienyl)-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)-3-[(4-hydroxyphenyl)methyl]-4,6-dioxo-5-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-benzyl-1-(5-chlorothiophen-2-yl)-3-[(4-hydroxyphenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-benzyl-1-(5-chloro-2-thienyl)-3-(4-hydroxybenzyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C25H21ClN2O5S MolecularWeight: 496.96264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3C(C2=O)C(NC3C4=CC=C(S4)Cl)(CC5=CC=C(C=C5)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3C(C2=O)C(NC3C4=CC=C(S4)Cl)(CC5=CC=C(C=C5)O)C(=O)O

InChI

InChI=1S/C25H21ClN2O5S/c26-18-11-10-17(34-18)21-19-20(23(31)28(22(19)30)13-15-4-2-1-3-5-15)25(27-21,24(32)33)12-14-6-8-16(29)9-7-14/h1-11,19-21,27,29H,12-13H2,(H,32,33)