2-(2-fluorophenyl)sulfanylethyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: 2-(2-fluorophenyl)sulfanylethyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: 2-(2-fluorophenyl)sulfanylethyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid 2-[(2-fluorophenyl)thio]ethyl ester IUPAC Name: 2-(2-fluorophenyl)sulfanylethyl (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid 2-[(2-fluorophenyl)thio]ethyl ester Formula: C21H23FN2O2S MolecularWeight: 386.482923

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCCSC2=CC=CC=C2F)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCCSC2=CC=CC=C2F)C

InChI

InChI=1S/C21H23FN2O2S/c1-4-9-24-15(2)12-17(16(24)3)13-18(14-23)21(25)26-10-11-27-20-8-6-5-7-19(20)22/h5-8,12-13H,4,9-11H2,1-3H3/b18-13+