ethyl 5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[[1-(3-methoxyphenyl)imidazol-2-yl]thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC=CN2C3=CC(=CC=C3)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC=CN2C3=CC(=CC=C3)OC)C

InChI

InChI=1S/C21H23N3O4S/c1-5-28-20(26)18-13(2)19(23-14(18)3)17(25)12-29-21-22-9-10-24(21)15-7-6-8-16(11-15)27-4/h6-11,23H,5,12H2,1-4H3