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

Systemtic Name: propan-2-yl 2-[3-(4-bromanylpyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[3-(4-bromopyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(4-bromo-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-[3-(4-bromopyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(4-bromopyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C18H22BrN3O3S MolecularWeight: 440.35458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN3O3S/c1-11(2)25-18(24)16-13-5-3-4-6-14(13)26-17(16)21-15(23)7-8-22-10-12(19)9-20-22/h9-11H,3-8H2,1-2H3,(H,21,23)