propan-2-yl 2-[2-(5-methyl-4-nitro-pyrazol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[2-(5-methyl-4-nitro-pyrazol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-(5-methyl-4-nitro-pyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(5-methyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(5-methyl-4-nitropyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(5-methyl-4-nitro-pyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O5S/c1-10(2)27-18(24)16-12-6-4-5-7-14(12)28-17(16)20-15(23)9-21-11(3)13(8-19-21)22(25)26/h8,10H,4-7,9H2,1-3H3,(H,20,23)