tert-butyl 3-ethyl-5-[[(4-methoxyphenyl)amino]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: tert-butyl 3-ethyl-5-[[(4-methoxyphenyl)amino]methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]-1H-pyrrole-2-carboxylate Openeye Name: tert-butyl 3-ethyl-5-[(4-methoxyanilino)methyl]-4-[(2-methylthiazol-4-yl)methylcarbamoyl]-1H-pyrrole-2-carboxylate CAS Name: 3-ethyl-5-[(4-methoxyanilino)methyl]-4-[[(2-methyl-4-thiazolyl)methylamino]-oxomethyl]-1H-pyrrole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-ethyl-5-[(4-methoxyanilino)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]-1H-pyrrole-2-carboxylate Traditional Name: 3-ethyl-4-[(2-methylthiazol-4-yl)methylcarbamoyl]-5-(p-anisidinomethyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)NCC2=CSC(=N2)C)CNC3=CC=C(C=C3)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(NC(=C1C(=O)NCC2=CSC(=N2)C)CNC3=CC=C(C=C3)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H32N4O4S/c1-7-19-21(23(30)27-12-17-14-34-15(2)28-17)20(29-22(19)24(31)33-25(3,4)5)13-26-16-8-10-18(32-6)11-9-16/h8-11,14,26,29H,7,12-13H2,1-6H3,(H,27,30)