N-[2-[3-(dioxidanyl)cyclohexa-1,5-dien-1-yl]-2-oxidanylidene-ethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide

Systemtic Name: N-[2-[3-(dioxidanyl)cyclohexa-1,5-dien-1-yl]-2-oxidanylidene-ethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide Openeye Name: N-[2-(3-hydroperoxycyclohexa-1,5-dien-1-yl)-2-oxo-ethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide CAS Name: N-[2-(3-hydroperoxy-1-cyclohexa-1,5-dienyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide IUPAC Name: N-[2-(3-hydroperoxycyclohexa-1,5-dien-1-yl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide Traditional Name: N-[2-(3-hydroperoxycyclohexa-1,5-dien-1-yl)-2-keto-ethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=C1SC(=C2)C(=O)NCC(=O)C3=CC(CC=C3)OO

Isomeric SMILES

C1CNCC2=C1SC(=C2)C(=O)NCC(=O)C3=CC(CC=C3)OO

InChI

InChI=1S/C16H18N2O4S/c19-13(10-2-1-3-12(6-10)22-21)9-18-16(20)15-7-11-8-17-5-4-14(11)23-15/h1-2,6-7,12,17,21H,3-5,8-9H2,(H,18,20)