methyl 2,4-dimethyl-5-[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC(=C(N2)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC(=C(N2)C)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-12-18(20(26)27-4)14(3)22-19(12)17(25)11-28-21-23-13(2)16(24-21)10-15-8-6-5-7-9-15/h5-9,22H,10-11H2,1-4H3,(H,23,24)