1-(5-bromanylthiophen-2-yl)-3-(hydroxymethyl)-4,6-bis(oxidanylidene)-5-(2-pyridin-2-ylethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 1-(5-bromanylthiophen-2-yl)-3-(hydroxymethyl)-4,6-bis(oxidanylidene)-5-(2-pyridin-2-ylethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(5-bromo-2-thienyl)-3-(hydroxymethyl)-4,6-dioxo-5-[2-(2-pyridyl)ethyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(5-bromo-2-thiophenyl)-3-(hydroxymethyl)-4,6-dioxo-5-[2-(2-pyridinyl)ethyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(5-bromothiophen-2-yl)-3-(hydroxymethyl)-4,6-dioxo-5-(2-pyridin-2-ylethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 1-(5-bromo-2-thienyl)-4,6-diketo-3-methylol-5-[2-(2-pyridyl)ethyl]-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C19H18BrN3O5S MolecularWeight: 480.33232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCN2C(=O)C3C(C2=O)C(NC3C4=CC=C(S4)Br)(CO)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CCN2C(=O)C3C(C2=O)C(NC3C4=CC=C(S4)Br)(CO)C(=O)O

InChI

InChI=1S/C19H18BrN3O5S/c20-12-5-4-11(29-12)15-13-14(19(9-24,22-15)18(27)28)17(26)23(16(13)25)8-6-10-3-1-2-7-21-10/h1-5,7,13-15,22,24H,6,8-9H2,(H,27,28)