[(2R)-1-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-1-oxidanylidene-propan-2-yl] 1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-1-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-1-oxidanylidene-propan-2-yl] 1-benzofuran-2-carboxylate Openeye Name: [(1R)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]-1-methyl-2-oxo-ethyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [(2R)-1-[[(3S)-1,1-dioxo-3-thiolanyl]-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [(1R)-2-[[(3S)-1,1-diketothiolan-3-yl]-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C17H19NO6S MolecularWeight: 365.40086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCS(=O)(=O)C1)OC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)OC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C17H19NO6S/c1-11(16(19)18(2)13-7-8-25(21,22)10-13)23-17(20)15-9-12-5-3-4-6-14(12)24-15/h3-6,9,11,13H,7-8,10H2,1-2H3/t11-,13+/m1/s1