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

Systemtic Name: propyl 2-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 2-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C20H26BrN3O3S MolecularWeight: 468.40774

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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)Br)C

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)N3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C20H26BrN3O3S/c1-5-10-27-20(26)16-14-8-6-7-9-15(14)28-19(16)22-18(25)13(4)24-12(3)17(21)11(2)23-24/h13H,5-10H2,1-4H3,(H,22,25)