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

Systemtic Name: ethyl 4-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(1-amino-4-phenyl-imidazol-2-yl)sulfanylacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[(1-amino-4-phenyl-2-imidazolyl)thio]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-amino-4-phenylimidazol-2-yl)sulfanylacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[(1-amino-4-phenyl-imidazol-2-yl)thio]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC(=CN2N)C3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC(=CN2N)C3=CC=CC=C3)C)C

InChI

InChI=1S/C20H22N4O3S/c1-4-27-19(26)18-13(3)22-12(2)17(18)16(25)11-28-20-23-15(10-24(20)21)14-8-6-5-7-9-14/h5-10,22H,4,11,21H2,1-3H3