2-methoxy-6-[(E)-(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)iminomethyl]phenolate

Systemtic Name: 2-methoxy-6-[(E)-(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)iminomethyl]phenolate Openeye Name: 2-methoxy-6-[(E)-(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)iminomethyl]phenolate CAS Name: 2-methoxy-6-[(E)-(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)iminomethyl]phenolate IUPAC Name: 2-methoxy-6-[(E)-(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)iminomethyl]phenolate Traditional Name: 2-[(E)-(3-carbomethoxy-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)iminomethyl]-6-methoxy-phenolate Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C1)SC(=C2C(=O)OC)N=CC3=C(C(=CC=C3)OC)[O-]

Isomeric SMILES

C[NH+]1CCC2=C(C1)SC(=C2C(=O)OC)/N=C/C3=C(C(=CC=C3)OC)[O-]

InChI

InChI=1S/C18H20N2O4S/c1-20-8-7-12-14(10-20)25-17(15(12)18(22)24-3)19-9-11-5-4-6-13(23-2)16(11)21/h4-6,9,21H,7-8,10H2,1-3H3/b19-9+