4-[10-(5-methylthiophen-2-yl)dec-9-ynylamino]benzoic acid

Systemtic Name: 4-[10-(5-methylthiophen-2-yl)dec-9-ynylamino]benzoic acid Openeye Name: 4-[10-(5-methyl-2-thienyl)dec-9-ynylamino]benzoic acid CAS Name: 4-[10-(5-methyl-2-thiophenyl)dec-9-ynylamino]benzoic acid IUPAC Name: 4-[10-(5-methylthiophen-2-yl)dec-9-ynylamino]benzoic acid Traditional Name: 4-[10-(5-methyl-2-thienyl)dec-9-ynylamino]benzoic acid Formula: C22H27NO2S MolecularWeight: 369.52028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C#CCCCCCCCCNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C#CCCCCCCCCNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C22H27NO2S/c1-18-11-16-21(26-18)10-8-6-4-2-3-5-7-9-17-23-20-14-12-19(13-15-20)22(24)25/h11-16,23H,2-7,9,17H2,1H3,(H,24,25)