[2-[(4-bromophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: [2-[(4-bromophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Openeye Name: [2-[(4-bromophenyl)methyl-methyl-amino]-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-[(4-bromophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-bromophenyl)methyl-methylamino]-2-oxoethyl] 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1,3-dimethylthieno[2,3-c]pyrazole-5-carboxylic acid [2-[(4-bromobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)N(C)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC(=O)N(C)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C18H18BrN3O3S/c1-11-14-8-15(26-17(14)22(3)20-11)18(24)25-10-16(23)21(2)9-12-4-6-13(19)7-5-12/h4-8H,9-10H2,1-3H3