ethyl 4-[(2S)-2-[4-[(4-bromanylthiophen-2-yl)carbonylamino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2S)-2-[4-[(4-bromanylthiophen-2-yl)carbonylamino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2S)-2-[4-[(4-bromothiophene-2-carbonyl)amino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-2-[4-[[(4-bromo-2-thiophenyl)-oxomethyl]amino]-3-methyl-1-pyrazolyl]-1-oxopropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-2-[4-[(4-bromothiophene-2-carbonyl)amino]-3-methylpyrazol-1-yl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-2-[4-[(4-bromothiophene-2-carbonyl)amino]-3-methyl-pyrazol-1-yl]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H24BrN5O4S MolecularWeight: 498.39396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(C)N2C=C(C(=N2)C)NC(=O)C3=CC(=CS3)Br

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](C)N2C=C(C(=N2)C)NC(=O)C3=CC(=CS3)Br

InChI

InChI=1S/C19H24BrN5O4S/c1-4-29-19(28)24-7-5-23(6-8-24)18(27)13(3)25-10-15(12(2)22-25)21-17(26)16-9-14(20)11-30-16/h9-11,13H,4-8H2,1-3H3,(H,21,26)/t13-/m0/s1