methyl 3-[2,5-dimethyl-3-[2-(phenylmethyl)-1,3-thiazol-4-yl]pyrrol-1-yl]propanoate

Systemtic Name: methyl 3-[2,5-dimethyl-3-[2-(phenylmethyl)-1,3-thiazol-4-yl]pyrrol-1-yl]propanoate Openeye Name: methyl 3-[3-(2-benzylthiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]propanoate CAS Name: 3-[2,5-dimethyl-3-[2-(phenylmethyl)-4-thiazolyl]-1-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(2-benzyl-1,3-thiazol-4-yl)-2,5-dimethylpyrrol-1-yl]propanoate Traditional Name: 3-[3-(2-benzylthiazol-4-yl)-2,5-dimethyl-pyrrol-1-yl]propionic acid methyl ester Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(=O)OC)C)C2=CSC(=N2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CCC(=O)OC)C)C2=CSC(=N2)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O2S/c1-14-11-17(15(2)22(14)10-9-20(23)24-3)18-13-25-19(21-18)12-16-7-5-4-6-8-16/h4-8,11,13H,9-10,12H2,1-3H3