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

Systemtic Name: ethyl 6-ethyl-2-[(1-ethyl-4-nitro-pyrazol-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-ethyl-2-[(1-ethyl-4-nitro-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-ethyl-2-[[(1-ethyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-2-[(1-ethyl-4-nitropyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-ethyl-2-[(1-ethyl-4-nitro-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=NN(C=C3[N+](=O)[O-])CC

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3=NN(C=C3[N+](=O)[O-])CC

InChI

InChI=1S/C19H24N4O5S/c1-4-11-7-8-12-14(9-11)29-18(15(12)19(25)28-6-3)20-17(24)16-13(23(26)27)10-22(5-2)21-16/h10-11H,4-9H2,1-3H3,(H,20,24)