ethyl (E)-3-[4-[4-(2,5-dimethylthiophen-3-yl)butylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[4-(2,5-dimethylthiophen-3-yl)butylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[4-(2,5-dimethyl-3-thienyl)butylamino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[4-(2,5-dimethyl-3-thiophenyl)butylamino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[4-(2,5-dimethylthiophen-3-yl)butylamino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[4-(2,5-dimethyl-3-thienyl)butylamino]phenyl]acrylic acid ethyl ester Formula: C21H27NO2S MolecularWeight: 357.50958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NCCCCC2=C(SC(=C2)C)C

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NCCCCC2=C(SC(=C2)C)C

InChI

InChI=1S/C21H27NO2S/c1-4-24-21(23)13-10-18-8-11-20(12-9-18)22-14-6-5-7-19-15-16(2)25-17(19)3/h8-13,15,22H,4-7,14H2,1-3H3/b13-10+