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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1CCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1CCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)[N+](=O)[O-]

InChI

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