ethyl 4-[4-(butylcarbamoyl)-5-methyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate

Systemtic Name: ethyl 4-[4-(butylcarbamoyl)-5-methyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[4-(butylcarbamoyl)-5-methyl-1-(2-thienylmethyl)pyrrol-2-yl]thiazole-2-carboxylate CAS Name: 4-[4-[butylamino(oxo)methyl]-5-methyl-1-(thiophen-2-ylmethyl)-2-pyrrolyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(butylcarbamoyl)-5-methyl-1-(thiophen-2-ylmethyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[4-(butylcarbamoyl)-5-methyl-1-(2-thenyl)pyrrol-2-yl]thiazole-2-carboxylic acid ethyl ester Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C(=O)OCC)CC3=CC=CS3)C

Isomeric SMILES

CCCCNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C(=O)OCC)CC3=CC=CS3)C

InChI

InChI=1S/C21H25N3O3S2/c1-4-6-9-22-19(25)16-11-18(17-13-29-20(23-17)21(26)27-5-2)24(14(16)3)12-15-8-7-10-28-15/h7-8,10-11,13H,4-6,9,12H2,1-3H3,(H,22,25)