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

Systemtic Name: methyl 4-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 4-[2-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-keto-ethoxy]benzoic acid methyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H21NO4S/c1-14-11-19(15(2)22(14)12-18-5-4-10-27-18)20(23)13-26-17-8-6-16(7-9-17)21(24)25-3/h4-11H,12-13H2,1-3H3