methyl 4-[3-[(E)-2-cyano-3-thiophen-3-yl-prop-2-enoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[3-[(E)-2-cyano-3-thiophen-3-yl-prop-2-enoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-[(E)-2-cyano-3-(3-thienyl)prop-2-enoyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(E)-2-cyano-1-oxo-3-(3-thiophenyl)prop-2-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[(E)-2-cyano-3-thiophen-3-ylprop-2-enoyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[(E)-2-cyano-3-(3-thienyl)acryloyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)C(=CC3=CSC=C3)C#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)/C(=C/C3=CSC=C3)/C#N

InChI

InChI=1S/C22H18N2O3S/c1-14-10-20(21(25)18(12-23)11-16-8-9-28-13-16)15(2)24(14)19-6-4-17(5-7-19)22(26)27-3/h4-11,13H,1-3H3/b18-11+