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

Systemtic Name: 5-cyclohexyl-3-methyl-4,6-bis(oxidanylidene)-1-thiophen-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 5-cyclohexyl-3-methyl-4,6-dioxo-1-(2-thienyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 5-cyclohexyl-3-methyl-4,6-dioxo-1-thiophen-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 5-cyclohexyl-3-methyl-4,6-dioxo-1-thiophen-2-yl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-cyclohexyl-4,6-diketo-3-methyl-1-(2-thienyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C(C(N1)C3=CC=CS3)C(=O)N(C2=O)C4CCCCC4)C(=O)O

Isomeric SMILES

CC1(C2C(C(N1)C3=CC=CS3)C(=O)N(C2=O)C4CCCCC4)C(=O)O

InChI

InChI=1S/C18H22N2O4S/c1-18(17(23)24)13-12(14(19-18)11-8-5-9-25-11)15(21)20(16(13)22)10-6-3-2-4-7-10/h5,8-10,12-14,19H,2-4,6-7H2,1H3,(H,23,24)