ethyl 2-[(4-bromanyl-1-ethyl-pyrazol-3-yl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-bromanyl-1-ethyl-pyrazol-3-yl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(4-bromo-1-ethyl-3-pyrazolyl)-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromo-1-ethylpyrazole-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C18H22BrN3O3S MolecularWeight: 440.35458

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC)Br

InChI

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