[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-1-methyl-pyrazole-3-carboxylate

Systemtic Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-1-methyl-pyrazole-3-carboxylate Openeye Name: [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 4-bromo-1-methyl-pyrazole-3-carboxylate CAS Name: 4-bromo-1-methyl-3-pyrazolecarboxylic acid [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-bromo-1-methylpyrazole-3-carboxylate Traditional Name: 4-bromo-1-methyl-pyrazole-3-carboxylic acid [2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C16H15BrN4O3S MolecularWeight: 423.2843

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)Br

Isomeric SMILES

CN1C=C(C(=N1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)Br

InChI

InChI=1S/C16H15BrN4O3S/c1-21-7-11(17)14(20-21)16(23)24-8-13(22)19-15-10(6-18)9-4-2-3-5-12(9)25-15/h7H,2-5,8H2,1H3,(H,19,22)