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

Systemtic Name: methyl 2,4-dimethyl-5-[5-methyl-2-(3-methylbutylamino)-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(isopentylamino)-5-methyl-thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[5-methyl-2-(3-methylbutylamino)-4-thiazolyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[5-methyl-2-(3-methylbutylamino)-1,3-thiazol-4-yl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(isoamylamino)-5-methyl-thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C2=C(SC(=N2)NCCC(C)C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C2=C(SC(=N2)NCCC(C)C)C

InChI

InChI=1S/C17H25N3O2S/c1-9(2)7-8-18-17-20-15(12(5)23-17)14-10(3)13(11(4)19-14)16(21)22-6/h9,19H,7-8H2,1-6H3,(H,18,20)