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

Systemtic Name: ethyl 4-[4-(butan-2-ylcarbamoyl)-1-[(4-methoxyphenyl)methyl]-5-methyl-pyrrol-2-yl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[1-[(4-methoxyphenyl)methyl]-5-methyl-4-(sec-butylcarbamoyl)pyrrol-2-yl]thiazole-2-carboxylate CAS Name: 4-[4-[(butan-2-ylamino)-oxomethyl]-1-[(4-methoxyphenyl)methyl]-5-methyl-2-pyrrolyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(butan-2-ylcarbamoyl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrol-2-yl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[5-methyl-1-p-anisyl-4-(sec-butylcarbamoyl)pyrrol-2-yl]thiazole-2-carboxylic acid ethyl ester Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C(=O)OCC)CC3=CC=C(C=C3)OC)C

Isomeric SMILES

CCC(C)NC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C(=O)OCC)CC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C24H29N3O4S/c1-6-15(3)25-22(28)19-12-21(20-14-32-23(26-20)24(29)31-7-2)27(16(19)4)13-17-8-10-18(30-5)11-9-17/h8-12,14-15H,6-7,13H2,1-5H3,(H,25,28)