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

Systemtic Name: propyl 2-[(4-bromanyl-1-ethyl-pyrazol-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 2-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-bromo-1-ethyl-3-pyrazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[(4-bromo-1-ethylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C18H22BrN3O3S MolecularWeight: 440.35458

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN(C=C3Br)CC

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN(C=C3Br)CC

InChI

InChI=1S/C18H22BrN3O3S/c1-3-9-25-18(24)14-11-7-5-6-8-13(11)26-17(14)20-16(23)15-12(19)10-22(4-2)21-15/h10H,3-9H2,1-2H3,(H,20,23)