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

Systemtic Name: methyl (E)-3-[4-(13-thiophen-2-yltridec-12-ynylamino)phenyl]prop-2-enoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C27H35NO2S MolecularWeight: 437.6373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35NO2S/c1-30-27(29)21-18-24-16-19-25(20-17-24)28-22-12-10-8-6-4-2-3-5-7-9-11-14-26-15-13-23-31-26/h13,15-21,23,28H,2-10,12,22H2,1H3/b21-18+