[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-[cyclopentyl-(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-[cyclopentyl-(1,1-diketothiolan-3-yl)amino]-2-keto-ethyl] ester Formula: C21H24BrNO6S MolecularWeight: 498.38736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)N(C3CCCC3)C4CCS(=O)(=O)C4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)N(C3CCCC3)C4CCS(=O)(=O)C4

InChI

InChI=1S/C21H24BrNO6S/c1-13-17-10-14(22)6-7-18(17)29-20(13)21(25)28-11-19(24)23(15-4-2-3-5-15)16-8-9-30(26,27)12-16/h6-7,10,15-16H,2-5,8-9,11-12H2,1H3