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

Systemtic Name: ethyl 2-[4-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-bromo-5-methyl-3-nitropyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H23BrN4O5S MolecularWeight: 499.37872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCN3C(=C(C(=N3)[N+](=O)[O-])Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCN3C(=C(C(=N3)[N+](=O)[O-])Br)C

InChI

InChI=1S/C19H23BrN4O5S/c1-3-29-19(26)15-12-7-4-5-8-13(12)30-18(15)21-14(25)9-6-10-23-11(2)16(20)17(22-23)24(27)28/h3-10H2,1-2H3,(H,21,25)