[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] (E)-2-acetamido-3-phenyl-prop-2-enoate

Systemtic Name: [2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] (E)-2-acetamido-3-phenyl-prop-2-enoate Openeye Name: [2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-oxo-ethyl] (E)-2-acetamido-3-phenyl-prop-2-enoate CAS Name: (E)-2-acetamido-3-phenyl-2-propenoic acid [2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethyl] (E)-2-acetamido-3-phenylprop-2-enoate Traditional Name: (E)-2-acetamido-3-phenyl-acrylic acid [2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-keto-ethyl] ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)COC(=O)C(=CC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)COC(=O)/C(=C\C3=CC=CC=C3)/NC(=O)C

InChI

InChI=1S/C25H26N2O4S/c1-17-14-22(18(2)27(17)12-11-21-10-7-13-32-21)24(29)16-31-25(30)23(26-19(3)28)15-20-8-5-4-6-9-20/h4-10,13-15H,11-12,16H2,1-3H3,(H,26,28)/b23-15+