methyl 4-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 4-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 4-[2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)-3-pyrrolyl]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[2,5-dimethyl-1-[2-(2-thienyl)ethyl]pyrrol-3-yl]-2-keto-ethoxy]benzoic acid methyl ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)COC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CS2)C)C(=O)COC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H23NO4S/c1-15-13-20(16(2)23(15)11-10-19-5-4-12-28-19)21(24)14-27-18-8-6-17(7-9-18)22(25)26-3/h4-9,12-13H,10-11,14H2,1-3H3