[4-(9-thiophen-2-ylnonylamino)phenyl] pent-2-ynoate

Systemtic Name: [4-(9-thiophen-2-ylnonylamino)phenyl] pent-2-ynoate Openeye Name: [4-[9-(2-thienyl)nonylamino]phenyl] pent-2-ynoate CAS Name: 2-pentynoic acid [4-(9-thiophen-2-ylnonylamino)phenyl] ester IUPAC Name: [4-(9-thiophen-2-ylnonylamino)phenyl] pent-2-ynoate Traditional Name: pent-2-ynoic acid [4-[9-(2-thienyl)nonylamino]phenyl] ester Formula: C24H31NO2S MolecularWeight: 397.57344

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC(=O)OC1=CC=C(C=C1)NCCCCCCCCCC2=CC=CS2

Isomeric SMILES

CCC#CC(=O)OC1=CC=C(C=C1)NCCCCCCCCCC2=CC=CS2

InChI

InChI=1S/C24H31NO2S/c1-2-3-14-24(26)27-22-17-15-21(16-18-22)25-19-10-8-6-4-5-7-9-12-23-13-11-20-28-23/h11,13,15-18,20,25H,2,4-10,12,19H2,1H3