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

Systemtic Name: propyl 2-[2-(3-methyl-4-nitro-pyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 2-[2-(3-methyl-4-nitro-pyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(3-methyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[2-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(3-methyl-4-nitro-pyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C19H24N4O5S MolecularWeight: 420.48266

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)N3C=C(C(=N3)C)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)N3C=C(C(=N3)C)[N+](=O)[O-]

InChI

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