[3-[4-(heptylamino)phenyl]sulfanylphenyl] ethanoate

Systemtic Name: [3-[4-(heptylamino)phenyl]sulfanylphenyl] ethanoate Openeye Name: [3-[4-(heptylamino)phenyl]sulfanylphenyl] acetate CAS Name: acetic acid [3-[[4-(heptylamino)phenyl]thio]phenyl] ester IUPAC Name: [3-[4-(heptylamino)phenyl]sulfanylphenyl] acetate Traditional Name: acetic acid [3-[[4-(heptylamino)phenyl]thio]phenyl] ester Formula: C21H27NO2S MolecularWeight: 357.50958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=CC=C(C=C1)SC2=CC=CC(=C2)OC(=O)C

Isomeric SMILES

CCCCCCCNC1=CC=C(C=C1)SC2=CC=CC(=C2)OC(=O)C

InChI

InChI=1S/C21H27NO2S/c1-3-4-5-6-7-15-22-18-11-13-20(14-12-18)25-21-10-8-9-19(16-21)24-17(2)23/h8-14,16,22H,3-7,15H2,1-2H3