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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=NN(C=C3Br)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=NN(C=C3Br)C

InChI

InChI=1S/C16H18BrN3O3S/c1-8-4-5-9-11(6-8)24-15(12(9)16(22)23-3)18-14(21)13-10(17)7-20(2)19-13/h7-8H,4-6H2,1-3H3,(H,18,21)