1H-cyclopropa[b][1]benzothiole; [4-[1-(dimethylamino)ethoxy]phenyl]-phenyl-methanolate

Systemtic Name: 1H-cyclopropa[b][1]benzothiole; [4-[1-(dimethylamino)ethoxy]phenyl]-phenyl-methanolate Openeye Name: 1H-cyclopropa[b]benzothiophene; [4-[1-(dimethylamino)ethoxy]phenyl]-phenyl-methanolate CAS Name: 1H-cyclopropa[b][1]benzothiole; [4-[1-(dimethylamino)ethoxy]phenyl]-phenylmethanolate IUPAC Name: 1H-cyclopropa[b][1]benzothiole; [4-[1-(dimethylamino)ethoxy]phenyl]-phenylmethanolate Traditional Name: 1H-cyclopropa[b]benzothiophene; [4-[1-(dimethylamino)ethoxy]phenyl]-phenyl-methanolate Formula: C26H26NO2S- MolecularWeight: 416.55514

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Descriptors Computed from Structure

Canonical SMILES:

CC(N(C)C)OC1=CC=C(C=C1)C(C2=CC=CC=C2)[O-].C1C2=C1SC3=CC=CC=C23

Isomeric SMILES

CC(N(C)C)OC1=CC=C(C=C1)C(C2=CC=CC=C2)[O-].C1C2=C1SC3=CC=CC=C23

InChI

InChI=1S/C17H20NO2.C9H6S/c1-13(18(2)3)20-16-11-9-15(10-12-16)17(19)14-7-5-4-6-8-14;1-2-4-8-6(3-1)7-5-9(7)10-8/h4-13,17H,1-3H3;1-4H,5H2/q-1;