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

Systemtic Name: methyl 2,4-dimethyl-5-[2-(phenylmethyl)-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-(2-benzylthiazol-4-yl)-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-(phenylmethyl)-4-thiazolyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(2-benzyl-1,3-thiazol-4-yl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(2-benzylthiazol-4-yl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C2=CSC(=N2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C2=CSC(=N2)CC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O2S/c1-11-16(18(21)22-3)12(2)19-17(11)14-10-23-15(20-14)9-13-7-5-4-6-8-13/h4-8,10,19H,9H2,1-3H3