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

Systemtic Name: propyl 2-[2-(4-bromanylpyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 2-[2-(4-bromopyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-1-pyrazolyl)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[2-(4-bromopyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(4-bromopyrazol-1-yl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C19H24BrN3O3S MolecularWeight: 454.38116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrN3O3S/c1-3-9-26-19(25)16-13-7-5-6-8-15(13)27-18(16)22-17(24)14(4-2)23-11-12(20)10-21-23/h10-11,14H,3-9H2,1-2H3,(H,22,24)