[2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 5-bromanylfuran-2-carboxylate

Systemtic Name: [2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 5-bromanylfuran-2-carboxylate Openeye Name: [2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methyl-2-thienyl]amino]-2-oxo-ethyl] 5-bromofuran-2-carboxylate CAS Name: 5-bromo-2-furancarboxylic acid [2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methyl-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(1,3-benzodioxol-5-ylmethyl)-3-methoxycarbonyl-5-methylthiophen-2-yl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate Traditional Name: 5-bromofuran-2-carboxylic acid [2-[(3-carbomethoxy-5-methyl-4-piperonyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C22H18BrNO8S MolecularWeight: 536.34922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)COC(=O)C2=CC=C(O2)Br)C(=O)OC)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)COC(=O)C2=CC=C(O2)Br)C(=O)OC)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H18BrNO8S/c1-11-13(7-12-3-4-14-16(8-12)31-10-30-14)19(22(27)28-2)20(33-11)24-18(25)9-29-21(26)15-5-6-17(23)32-15/h3-6,8H,7,9-10H2,1-2H3,(H,24,25)