2,4-bis(bromanyl)-6-[(E)-[6-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]iminomethyl]phenolate

Systemtic Name: 2,4-bis(bromanyl)-6-[(E)-[6-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]iminomethyl]phenolate Openeye Name: 2,4-dibromo-6-[(E)-(3-tert-butoxycarbonyl-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)iminomethyl]phenolate CAS Name: 2,4-dibromo-6-[(E)-[6-methyl-3-[(2-methylpropan-2-yl)oxy-oxomethyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]iminomethyl]phenolate IUPAC Name: 2,4-dibromo-6-[(E)-[6-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]iminomethyl]phenolate Traditional Name: 2,4-dibromo-6-[(E)-(3-tert-butoxycarbonyl-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)iminomethyl]phenolate Formula: C20H22Br2N2O3S MolecularWeight: 530.27328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(SC2=C1CC[NH+](C2)C)N=CC3=CC(=CC(=C3[O-])Br)Br

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(SC2=C1CC[NH+](C2)C)/N=C/C3=CC(=CC(=C3[O-])Br)Br

InChI

InChI=1S/C20H22Br2N2O3S/c1-20(2,3)27-19(26)16-13-5-6-24(4)10-15(13)28-18(16)23-9-11-7-12(21)8-14(22)17(11)25/h7-9,25H,5-6,10H2,1-4H3/b23-9+