ethyl 4-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-ethylhexylcarbamoyl)-5-methyl-pyrrol-2-yl]-1,3-thiazole-2-carboxylate

Systemtic Name: ethyl 4-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-ethylhexylcarbamoyl)-5-methyl-pyrrol-2-yl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-ethylhexylcarbamoyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylate CAS Name: 4-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-ethylhexylamino)-oxomethyl]-5-methyl-2-pyrrolyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-ethylhexylcarbamoyl)-5-methylpyrrol-2-yl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[4-(2-ethylhexylcarbamoyl)-1-homoveratryl-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid ethyl ester Formula: C30H41N3O5S MolecularWeight: 555.72864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C(=O)OCC)CCC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CCCCC(CC)CNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C(=O)OCC)CCC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C30H41N3O5S/c1-7-10-11-21(8-2)18-31-28(34)23-17-25(24-19-39-29(32-24)30(35)38-9-3)33(20(23)4)15-14-22-12-13-26(36-5)27(16-22)37-6/h12-13,16-17,19,21H,7-11,14-15,18H2,1-6H3,(H,31,34)