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

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopropyl-amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [2-[cyclopropyl-[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopropyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [2-[cyclopropyl-[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)N(C3CC3)C4CCS(=O)(=O)C4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)N([C@H]3CCS(=O)(=O)C3)C4CC4

InChI

InChI=1S/C19H21NO6S/c1-12-15-4-2-3-5-16(15)26-18(12)19(22)25-10-17(21)20(13-6-7-13)14-8-9-27(23,24)11-14/h2-5,13-14H,6-11H2,1H3/t14-/m0/s1