2-diethylaminoethyl 3-butylsulfanylbenzoate

Systemtic Name: 2-diethylaminoethyl 3-butylsulfanylbenzoate Openeye Name: 2-diethylaminoethyl 3-butylsulfanylbenzoate CAS Name: 3-(butylthio)benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 3-butylsulfanylbenzoate Traditional Name: 3-(butylthio)benzoic acid 2-diethylaminoethyl ester Formula: C17H27NO2S MolecularWeight: 309.46678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=CC(=C1)C(=O)OCCN(CC)CC

Isomeric SMILES

CCCCSC1=CC=CC(=C1)C(=O)OCCN(CC)CC

InChI

InChI=1S/C17H27NO2S/c1-4-7-13-21-16-10-8-9-15(14-16)17(19)20-12-11-18(5-2)6-3/h8-10,14H,4-7,11-13H2,1-3H3