ethyl (E)-3-[4-(13-thiophen-2-yltridec-12-ynylamino)phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-(13-thiophen-2-yltridec-12-ynylamino)phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[13-(2-thienyl)tridec-12-ynylamino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-(13-thiophen-2-yltridec-12-ynylamino)phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-(13-thiophen-2-yltridec-12-ynylamino)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[13-(2-thienyl)tridec-12-ynylamino]phenyl]acrylic acid ethyl ester Formula: C28H37NO2S MolecularWeight: 451.66388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NCCCCCCCCCCCC#CC2=CC=CS2

Isomeric SMILES

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

InChI

InChI=1S/C28H37NO2S/c1-2-31-28(30)22-19-25-17-20-26(21-18-25)29-23-13-11-9-7-5-3-4-6-8-10-12-15-27-16-14-24-32-27/h14,16-22,24,29H,2-11,13,23H2,1H3/b22-19+