[1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-oxidanylidene-propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate

Systemtic Name: [1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-oxidanylidene-propan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate Openeye Name: [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-methyl-2-oxo-ethyl] (E)-3-(2-thienyl)prop-2-enoate CAS Name: (E)-3-thiophen-2-yl-2-propenoic acid [1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-oxopropan-2-yl] (E)-3-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-(2-thienyl)acrylic acid [2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(C)OC(=O)C=CC3=CC=CS3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(C)OC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C22H21NO3S/c1-15-14-20(16(2)23(15)18-8-5-4-6-9-18)22(25)17(3)26-21(24)12-11-19-10-7-13-27-19/h4-14,17H,1-3H3/b12-11+