2-[[(6S)-3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 2-[[(6S)-3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]-6-nitro-phenolate Openeye Name: 2-[[(6S)-3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]iminomethyl]-6-nitro-phenolate CAS Name: 2-[[(6S)-3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]-6-nitrophenolate IUPAC Name: 2-[[(6S)-3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]-6-nitrophenolate Traditional Name: 2-[[(6S)-3-carbomethoxy-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]iminomethyl]-6-nitro-phenolate Formula: C18H17N2O5S- MolecularWeight: 373.40298

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)N=CC3=C(C(=CC=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S/c1-10-6-7-12-14(8-10)26-17(15(12)18(22)25-2)19-9-11-4-3-5-13(16(11)21)20(23)24/h3-5,9-10,21H,6-8H2,1-2H3/p-1/t10-/m0/s1