3-[1-(3-oxidanylpropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-thiophen-2-yl-pyrrole-2,5-dione

Systemtic Name: 3-[1-(3-oxidanylpropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-thiophen-2-yl-pyrrole-2,5-dione Openeye Name: 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(2-thienyl)pyrrole-2,5-dione CAS Name: 3-[1-(3-hydroxypropyl)-3-pyrrolo[2,3-b]pyridinyl]-4-thiophen-2-ylpyrrole-2,5-dione IUPAC Name: 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-thiophen-2-ylpyrrole-2,5-dione Traditional Name: 3-[1-(3-hydroxypropyl)pyrrolo[2,3-b]pyridin-3-yl]-4-(2-thienyl)-3-pyrroline-2,5-quinone Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(N=C1)N(C=C2C3=C(C(=O)NC3=O)C4=CC=CS4)CCCO

Isomeric SMILES

C1=CC2=C(N=C1)N(C=C2C3=C(C(=O)NC3=O)C4=CC=CS4)CCCO

InChI

InChI=1S/C18H15N3O3S/c22-8-3-7-21-10-12(11-4-1-6-19-16(11)21)14-15(13-5-2-9-25-13)18(24)20-17(14)23/h1-2,4-6,9-10,22H,3,7-8H2,(H,20,23,24)