ethyl 2-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-(4-bromanylpyrazol-1-yl)-2-methyl-propanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(4-bromo-1-pyrazolyl)-2-methyl-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(4-bromopyrazol-1-yl)-2-methylpropanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-(4-bromopyrazol-1-yl)-2-methyl-propanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H22BrN3O3S MolecularWeight: 440.35458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)CN3C=C(C=N3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)CN3C=C(C=N3)Br

InChI

InChI=1S/C18H22BrN3O3S/c1-3-25-18(24)15-13-6-4-5-7-14(13)26-17(15)21-16(23)11(2)9-22-10-12(19)8-20-22/h8,10-11H,3-7,9H2,1-2H3,(H,21,23)