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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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