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

Systemtic Name: ethyl 2-[(3-methoxy-4-nitro-1H-pyrazol-5-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(3-methoxy-4-nitro-1H-pyrazol-5-yl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-methoxy-4-nitro-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C16H18N4O6S MolecularWeight: 394.40232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C(=NN3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C(=NN3)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O6S/c1-3-26-16(22)10-8-6-4-5-7-9(8)27-15(10)17-13(21)11-12(20(23)24)14(25-2)19-18-11/h3-7H2,1-2H3,(H,17,21)(H,18,19)