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

Systemtic Name: propan-2-yl 2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O5S/c1-12(2)30-21(27)18-15-8-5-6-9-16(15)31-20(18)22-17(26)10-7-11-24-14(4)19(25(28)29)13(3)23-24/h12H,5-11H2,1-4H3,(H,22,26)