2-methoxy-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-methoxy-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-[(E)-(3-tert-butoxycarbonyl-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)iminomethyl]-6-methoxy-phenolate CAS Name: 2-methoxy-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-methoxy-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-[(E)-(3-tert-butoxycarbonyl-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)iminomethyl]-6-methoxy-phenolate Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-21(2,3)27-20(25)17-14-9-10-23(4)12-16(14)28-19(17)22-11-13-7-6-8-15(26-5)18(13)24/h6-8,11,24H,9-10,12H2,1-5H3/b22-11+