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

Systemtic Name: ethyl 2-[(2-methyl-5-morpholin-4-ylcarbonyl-pyrazol-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-methyl-5-(morpholine-4-carbonyl)pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-methyl-5-[4-morpholinyl(oxo)methyl]-3-pyrazolyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-methyl-5-(morpholine-4-carbonyl)pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-methyl-5-(morpholine-4-carbonyl)pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H26N4O5S MolecularWeight: 446.51994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NN3C)C(=O)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NN3C)C(=O)N4CCOCC4

InChI

InChI=1S/C21H26N4O5S/c1-3-30-21(28)17-13-6-4-5-7-16(13)31-19(17)22-18(26)15-12-14(23-24(15)2)20(27)25-8-10-29-11-9-25/h12H,3-11H2,1-2H3,(H,22,26)