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

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-1-(5-chloranylthiophen-2-yl)-3-[(4-hydroxyphenyl)methyl]-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-(3-chloro-4-methyl-phenyl)-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: 5-(3-chloro-4-methylphenyl)-1-(5-chloro-2-thiophenyl)-3-[(4-hydroxyphenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methyl-phenyl)-1-(5-chloro-2-thienyl)-3-(4-hydroxybenzyl)-4,6-diketo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C25H20Cl2N2O5S MolecularWeight: 531.4077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC=C(S4)Cl)(CC5=CC=C(C=C5)O)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CC=C(S4)Cl)(CC5=CC=C(C=C5)O)C(=O)O)Cl

InChI

InChI=1S/C25H20Cl2N2O5S/c1-12-2-5-14(10-16(12)26)29-22(31)19-20(23(29)32)25(24(33)34,11-13-3-6-15(30)7-4-13)28-21(19)17-8-9-18(27)35-17/h2-10,19-21,28,30H,11H2,1H3,(H,33,34)