ethyl 2,4-dimethyl-5-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]propyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]propanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H20N4O3S2 MolecularWeight: 404.5064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NNC(=N2)C3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NNC(=N2)C3=CC=CS3)C

InChI

InChI=1S/C18H20N4O3S2/c1-5-25-17(24)13-9(2)14(19-10(13)3)15(23)11(4)27-18-20-16(21-22-18)12-7-6-8-26-12/h6-8,11,19H,5H2,1-4H3,(H,20,21,22)