N-(2-ethylhexyl)-1-(furan-2-ylmethyl)-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide

Systemtic Name: N-(2-ethylhexyl)-1-(furan-2-ylmethyl)-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide Openeye Name: N-(2-ethylhexyl)-1-(2-furylmethyl)-2-methyl-5-(2-phenylthiazol-4-yl)pyrrole-3-carboxamide CAS Name: N-(2-ethylhexyl)-1-(2-furanylmethyl)-2-methyl-5-(2-phenyl-4-thiazolyl)-3-pyrrolecarboxamide IUPAC Name: N-(2-ethylhexyl)-1-(furan-2-ylmethyl)-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide Traditional Name: N-(2-ethylhexyl)-1-(2-furfuryl)-2-methyl-5-(2-phenylthiazol-4-yl)pyrrole-3-carboxamide Formula: C28H33N3O2S MolecularWeight: 475.64552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C3=CC=CC=C3)CC4=CC=CO4)C

Isomeric SMILES

CCCCC(CC)CNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C3=CC=CC=C3)CC4=CC=CO4)C

InChI

InChI=1S/C28H33N3O2S/c1-4-6-11-21(5-2)17-29-27(32)24-16-26(31(20(24)3)18-23-14-10-15-33-23)25-19-34-28(30-25)22-12-8-7-9-13-22/h7-10,12-16,19,21H,4-6,11,17-18H2,1-3H3,(H,29,32)