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

Systemtic Name: 4-bromanyl-2-[[(6S)-3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-bromo-2-[[(6S)-3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]iminomethyl]-6-nitro-phenolate CAS Name: 4-bromo-2-[[(6S)-3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-bromo-2-[[(6S)-3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]iminomethyl]-6-nitrophenolate Traditional Name: 4-bromo-2-[[(6S)-3-carbomethoxy-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]iminomethyl]-6-nitro-phenolate Formula: C18H16BrN2O5S- MolecularWeight: 452.29904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O5S/c1-9-3-4-12-14(5-9)27-17(15(12)18(23)26-2)20-8-10-6-11(19)7-13(16(10)22)21(24)25/h6-9,22H,3-5H2,1-2H3/p-1/t9-/m0/s1