4-[4-(diethylamino)-4-oxidanylidene-butyl]sulfanylbenzoic acid

Systemtic Name: 4-[4-(diethylamino)-4-oxidanylidene-butyl]sulfanylbenzoic acid Openeye Name: 4-[4-(diethylamino)-4-oxo-butyl]sulfanylbenzoic acid CAS Name: 4-[[4-(diethylamino)-4-oxobutyl]thio]benzoic acid IUPAC Name: 4-[4-(diethylamino)-4-oxobutyl]sulfanylbenzoic acid Traditional Name: 4-[[4-(diethylamino)-4-keto-butyl]thio]benzoic acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CCCSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCN(CC)C(=O)CCCSC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H21NO3S/c1-3-16(4-2)14(17)6-5-11-20-13-9-7-12(8-10-13)15(18)19/h7-10H,3-6,11H2,1-2H3,(H,18,19)