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

Systemtic Name: propan-2-yl 2-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C20H26BrN3O3S MolecularWeight: 468.40774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)C)Br

Isomeric SMILES

CC1=C(C(=NN1C(C)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)C)Br

InChI

InChI=1S/C20H26BrN3O3S/c1-10(2)27-20(26)16-14-8-6-7-9-15(14)28-19(16)22-18(25)13(5)24-12(4)17(21)11(3)23-24/h10,13H,6-9H2,1-5H3,(H,22,25)