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

Systemtic Name: ethyl 4-[4-(2-ethylhexylcarbamoyl)-1-[(4-methoxyphenyl)methyl]-5-methyl-pyrrol-2-yl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[4-(2-ethylhexylcarbamoyl)-1-[(4-methoxyphenyl)methyl]-5-methyl-pyrrol-2-yl]thiazole-2-carboxylate CAS Name: 4-[4-[(2-ethylhexylamino)-oxomethyl]-1-[(4-methoxyphenyl)methyl]-5-methyl-2-pyrrolyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-ethylhexylcarbamoyl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrol-2-yl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[4-(2-ethylhexylcarbamoyl)-5-methyl-1-p-anisyl-pyrrol-2-yl]thiazole-2-carboxylic acid ethyl ester Formula: C28H37N3O4S MolecularWeight: 511.67608

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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)CC3=CC=C(C=C3)OC)C

Isomeric SMILES

CCCCC(CC)CNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C(=O)OCC)CC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C28H37N3O4S/c1-6-9-10-20(7-2)16-29-26(32)23-15-25(24-18-36-27(30-24)28(33)35-8-3)31(19(23)4)17-21-11-13-22(34-5)14-12-21/h11-15,18,20H,6-10,16-17H2,1-5H3,(H,29,32)