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

Systemtic Name: propyl 2-[(4-bromanyl-1H-pyrazol-5-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 2-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-bromo-1H-pyrazol-5-yl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-bromo-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C16H18BrN3O3S MolecularWeight: 412.30142

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=NN3)Br

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=NN3)Br

InChI

InChI=1S/C16H18BrN3O3S/c1-2-7-23-16(22)12-9-5-3-4-6-11(9)24-15(12)19-14(21)13-10(17)8-18-20-13/h8H,2-7H2,1H3,(H,18,20)(H,19,21)