[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2,6-dimethoxybenzoate

Systemtic Name: [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2,6-dimethoxybenzoate Openeye Name: [2-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-oxo-ethyl] 2,6-dimethoxybenzoate CAS Name: 2,6-dimethoxybenzoic acid [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl] 2,6-dimethoxybenzoate Traditional Name: 2,6-dimethoxybenzoic acid [2-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC(=O)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)COC(=O)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C22H23NO5S/c1-14-11-17(15(2)23(14)12-16-7-6-10-29-16)18(24)13-28-22(25)21-19(26-3)8-5-9-20(21)27-4/h5-11H,12-13H2,1-4H3