[2-[[5-(4-bromophenyl)-2-ethoxycarbonyl-thiophen-3-yl]amino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate

Systemtic Name: [2-[[5-(4-bromophenyl)-2-ethoxycarbonyl-thiophen-3-yl]amino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-[[5-(4-bromophenyl)-2-ethoxycarbonyl-3-thienyl]amino]-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic acid [2-[[5-(4-bromophenyl)-2-ethoxycarbonyl-3-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[5-(4-bromophenyl)-2-ethoxycarbonylthiophen-3-yl]amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-[[5-(4-bromophenyl)-2-carbethoxy-3-thienyl]amino]-2-keto-ethyl] ester Formula: C20H18BrN3O5S MolecularWeight: 492.34302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Br)NC(=O)COC(=O)C3=CN(N=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Br)NC(=O)COC(=O)C3=CN(N=C3)C

InChI

InChI=1S/C20H18BrN3O5S/c1-3-28-20(27)18-15(8-16(30-18)12-4-6-14(21)7-5-12)23-17(25)11-29-19(26)13-9-22-24(2)10-13/h4-10H,3,11H2,1-2H3,(H,23,25)