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

Systemtic Name: propyl 2-[(4-bromanyl-2,5-dimethyl-pyrazol-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 2-[(4-bromo-2,5-dimethyl-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-bromo-2,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-bromo-2,5-dimethyl-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=C(C(=NN3C)C)Br

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C(=NN3C)C)Br

InChI

InChI=1S/C18H22BrN3O3S/c1-4-9-25-18(24)13-11-7-5-6-8-12(11)26-17(13)20-16(23)15-14(19)10(2)21-22(15)3/h4-9H2,1-3H3,(H,20,23)