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ethyl 2-[3-[4-(heptylamino)phenyl]sulfanylphenyl]ethanoate

ethyl 2-[3-[4-(heptylamino)phenyl]sulfanylphenyl]ethanoate

Systemtic Name:ethyl 2-[3-[4-(heptylamino)phenyl]sulfanylphenyl]ethanoate
Openeye Name:ethyl 2-[3-[4-(heptylamino)phenyl]sulfanylphenyl]acetate
CAS Name:2-[3-[[4-(heptylamino)phenyl]thio]phenyl]acetic acid ethyl ester
IUPAC Name:ethyl 2-[3-[4-(heptylamino)phenyl]sulfanylphenyl]acetate
Traditional Name:2-[3-[[4-(heptylamino)phenyl]thio]phenyl]acetic acid ethyl ester
Formula: C23H31NO2S
MolecularWeight: 385.56274
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C23H31NO2S/c1-3-5-6-7-8-16-24-20-12-14-21(15-13-20)27-22-11-9-10-19(17-22)18-23(25)26-4-2/h9-15,17,24H,3-8,16,18H2,1-2H3


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