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

Systemtic Name: ethyl 2-[(1-ethylpyrazol-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(1-ethylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(1-ethyl-3-pyrazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-ethylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-ethylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

Isomeric SMILES

CCN1C=CC(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

InChI

InChI=1S/C17H21N3O3S/c1-3-20-10-9-12(19-20)15(21)18-16-14(17(22)23-4-2)11-7-5-6-8-13(11)24-16/h9-10H,3-8H2,1-2H3,(H,18,21)