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

Systemtic Name: 3-(cyclohexylmethyl)-4,6-bis(oxidanylidene)-5-(phenylmethyl)-1-thiophen-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-benzyl-3-(cyclohexylmethyl)-4,6-dioxo-1-(2-thienyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-(cyclohexylmethyl)-4,6-dioxo-5-(phenylmethyl)-1-thiophen-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-benzyl-3-(cyclohexylmethyl)-4,6-dioxo-1-thiophen-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-benzyl-3-(cyclohexylmethyl)-4,6-diketo-1-(2-thienyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2(C3C(C(N2)C4=CC=CS4)C(=O)N(C3=O)CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CCC(CC1)CC2(C3C(C(N2)C4=CC=CS4)C(=O)N(C3=O)CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C25H28N2O4S/c28-22-19-20(23(29)27(22)15-17-10-5-2-6-11-17)25(24(30)31,14-16-8-3-1-4-9-16)26-21(19)18-12-7-13-32-18/h2,5-7,10-13,16,19-21,26H,1,3-4,8-9,14-15H2,(H,30,31)