[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate CAS Name: 1,3-dimethyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C17H15BrN2O4S MolecularWeight: 423.281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)Br)C

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)C3=CC(=C(C=C3)OC)Br)C

InChI

InChI=1S/C17H15BrN2O4S/c1-9-11-7-15(25-16(11)20(2)19-9)17(22)24-8-13(21)10-4-5-14(23-3)12(18)6-10/h4-7H,8H2,1-3H3