ethyl 2-[[5-(diethylcarbamoyl)-2-methyl-pyrazol-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[5-(diethylcarbamoyl)-2-methyl-pyrazol-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[5-(diethylcarbamoyl)-2-methyl-pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[5-[diethylamino(oxo)methyl]-2-methyl-3-pyrazolyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(diethylcarbamoyl)-2-methylpyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[5-(diethylcarbamoyl)-2-methyl-pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H28N4O4S MolecularWeight: 432.53642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=NN(C(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)C

Isomeric SMILES

CCN(CC)C(=O)C1=NN(C(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)C

InChI

InChI=1S/C21H28N4O4S/c1-5-25(6-2)20(27)14-12-15(24(4)23-14)18(26)22-19-17(21(28)29-7-3)13-10-8-9-11-16(13)30-19/h12H,5-11H2,1-4H3,(H,22,26)