methyl 2-[[5-nitro-2-(phenylmethyl)pyrazol-3-yl]carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[5-nitro-2-(phenylmethyl)pyrazol-3-yl]carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-benzyl-5-nitro-pyrazole-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[5-nitro-2-(phenylmethyl)-3-pyrazolyl]-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-benzyl-5-nitropyrazole-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-benzyl-5-nitro-pyrazole-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C20H18N4O5S MolecularWeight: 426.44572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC(=NN3CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC(=NN3CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5S/c1-29-20(26)17-13-8-5-9-15(13)30-19(17)21-18(25)14-10-16(24(27)28)22-23(14)11-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9,11H2,1H3,(H,21,25)