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

Systemtic Name: [4-[4-aminocarbonyl-5-methyl-1-(phenylmethyl)pyrrol-2-yl]-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-(1-benzyl-4-carbamoyl-5-methyl-pyrrol-2-yl)thiazol-2-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[4-carbamoyl-5-methyl-1-(phenylmethyl)-2-pyrrolyl]-2-thiazolyl]methyl ester IUPAC Name: [4-(1-benzyl-4-carbamoyl-5-methylpyrrol-2-yl)-1,3-thiazol-2-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-(1-benzyl-4-carbamoyl-5-methyl-pyrrol-2-yl)thiazol-2-yl]methyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2=CC=CC=C2)C3=CSC(=N3)COC(=O)C(C)(C)C)C(=O)N

Isomeric SMILES

CC1=C(C=C(N1CC2=CC=CC=C2)C3=CSC(=N3)COC(=O)C(C)(C)C)C(=O)N

InChI

InChI=1S/C22H25N3O3S/c1-14-16(20(23)26)10-18(25(14)11-15-8-6-5-7-9-15)17-13-29-19(24-17)12-28-21(27)22(2,3)4/h5-10,13H,11-12H2,1-4H3,(H2,23,26)