ethyl 4-(13-thiophen-2-yltridec-12-ynylamino)benzoate

Systemtic Name: ethyl 4-(13-thiophen-2-yltridec-12-ynylamino)benzoate Openeye Name: ethyl 4-[13-(2-thienyl)tridec-12-ynylamino]benzoate CAS Name: 4-(13-thiophen-2-yltridec-12-ynylamino)benzoic acid ethyl ester IUPAC Name: ethyl 4-(13-thiophen-2-yltridec-12-ynylamino)benzoate Traditional Name: 4-[13-(2-thienyl)tridec-12-ynylamino]benzoic acid ethyl ester Formula: C26H35NO2S MolecularWeight: 425.6266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCC#CC2=CC=CS2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCC#CC2=CC=CS2

InChI

InChI=1S/C26H35NO2S/c1-2-29-26(28)23-17-19-24(20-18-23)27-21-13-11-9-7-5-3-4-6-8-10-12-15-25-16-14-22-30-25/h14,16-20,22,27H,2-11,13,21H2,1H3