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

Systemtic Name: propan-2-yl 2-[4-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[4-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-(4-chloro-5-methyl-3-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-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C20H25ClN4O5S MolecularWeight: 468.9543

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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)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O5S/c1-11(2)30-20(27)16-13-7-4-5-8-14(13)31-19(16)22-15(26)9-6-10-24-12(3)17(21)18(23-24)25(28)29/h11H,4-10H2,1-3H3,(H,22,26)