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

Systemtic Name: propyl 2-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 2-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(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-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(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)CCN3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCN3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C20H26BrN3O3S/c1-4-11-27-20(26)17-14-7-5-6-8-15(14)28-19(17)22-16(25)9-10-24-13(3)18(21)12(2)23-24/h4-11H2,1-3H3,(H,22,25)