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

Systemtic Name: 1H-cyclopropa[b][1]benzothiole; [4-[1-(dimethylamino)ethoxy]phenyl]-[4-(phenylcarbonyloxy)phenyl]methanolate Openeye Name: (4-benzoyloxyphenyl)-[4-[1-(dimethylamino)ethoxy]phenyl]methanolate; 1H-cyclopropa[b]benzothiophene CAS Name: (4-benzoyloxyphenyl)-[4-[1-(dimethylamino)ethoxy]phenyl]methanolate; 1H-cyclopropa[b][1]benzothiole IUPAC Name: (4-benzoyloxyphenyl)-[4-[1-(dimethylamino)ethoxy]phenyl]methanolate; 1H-cyclopropa[b][1]benzothiole Traditional Name: (4-benzoyloxyphenyl)-[4-[1-(dimethylamino)ethoxy]phenyl]methanolate; 1H-cyclopropa[b]benzothiophene Formula: C33H30NO4S- MolecularWeight: 536.6606

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Descriptors Computed from Structure

Canonical SMILES:

CC(N(C)C)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)[O-].C1C2=C1SC3=CC=CC=C23

Isomeric SMILES

CC(N(C)C)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)[O-].C1C2=C1SC3=CC=CC=C23

InChI

InChI=1S/C24H24NO4.C9H6S/c1-17(25(2)3)28-21-13-9-18(10-14-21)23(26)19-11-15-22(16-12-19)29-24(27)20-7-5-4-6-8-20;1-2-4-8-6(3-1)7-5-9(7)10-8/h4-17,23H,1-3H3;1-4H,5H2/q-1;