4-(13-thiophen-2-yltridec-12-ynylamino)benzoic acid

Systemtic Name: 4-(13-thiophen-2-yltridec-12-ynylamino)benzoic acid Openeye Name: 4-[13-(2-thienyl)tridec-12-ynylamino]benzoic acid CAS Name: 4-(13-thiophen-2-yltridec-12-ynylamino)benzoic acid IUPAC Name: 4-(13-thiophen-2-yltridec-12-ynylamino)benzoic acid Traditional Name: 4-[13-(2-thienyl)tridec-12-ynylamino]benzoic acid Formula: C24H31NO2S MolecularWeight: 397.57344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C#CCCCCCCCCCCCNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CSC(=C1)C#CCCCCCCCCCCCNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C24H31NO2S/c26-24(27)21-15-17-22(18-16-21)25-19-11-9-7-5-3-1-2-4-6-8-10-13-23-14-12-20-28-23/h12,14-18,20,25H,1-9,11,19H2,(H,26,27)