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

Systemtic Name: [2-[[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[(3-methyl-1,1-dioxo-thiolan-3-yl)amino]-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-[(3-methyl-1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methyl-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-[(1,1-diketo-3-methyl-thiolan-3-yl)amino]-2-keto-ethyl] ester Formula: C17H18BrNO6S MolecularWeight: 444.29692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)NC3(CCS(=O)(=O)C3)C

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)NC3(CCS(=O)(=O)C3)C

InChI

InChI=1S/C17H18BrNO6S/c1-10-12-7-11(18)3-4-13(12)25-15(10)16(21)24-8-14(20)19-17(2)5-6-26(22,23)9-17/h3-4,7H,5-6,8-9H2,1-2H3,(H,19,20)