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

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

CC1=CC=CC=C1N2C(=O)C3C(C2=O)C(NC3C4=CC=C(S4)Cl)(CC5=CC=C(C=C5)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3C(C2=O)C(NC3C4=CC=C(S4)Cl)(CC5=CC=C(C=C5)O)C(=O)O

InChI

InChI=1S/C25H21ClN2O5S/c1-13-4-2-3-5-16(13)28-22(30)19-20(23(28)31)25(24(32)33,12-14-6-8-15(29)9-7-14)27-21(19)17-10-11-18(26)34-17/h2-11,19-21,27,29H,12H2,1H3,(H,32,33)