2-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)carbonylamino]ethyl 5-bromanylfuran-2-carboxylate

Systemtic Name: 2-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazol-5-yl)carbonylamino]ethyl 5-bromanylfuran-2-carboxylate Openeye Name: 2-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]ethyl 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid 2-[[(3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolyl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carbonyl)amino]ethyl 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid 2-[(3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carbonyl)amino]ethyl ester Formula: C20H16BrN3O4S MolecularWeight: 474.32774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NCCOC(=O)C3=CC=C(O3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NCCOC(=O)C3=CC=C(O3)Br)C4=CC=CC=C4

InChI

InChI=1S/C20H16BrN3O4S/c1-12-14-11-16(29-19(14)24(23-12)13-5-3-2-4-6-13)18(25)22-9-10-27-20(26)15-7-8-17(21)28-15/h2-8,11H,9-10H2,1H3,(H,22,25)