[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-phenyl-amino]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate Openeye Name: [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxo-ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [2-(N-[(3S)-1,1-dioxo-3-thiolanyl]anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [2-(N-[(3S)-1,1-diketothiolan-3-yl]anilino)-2-keto-ethyl] ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)OCC(=O)N(C2CCS(=O)(=O)C2)C3=CC=CC=C3

Isomeric SMILES

CN1C=CC=C1C(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C3=CC=CC=C3

InChI

InChI=1S/C18H20N2O5S/c1-19-10-5-8-16(19)18(22)25-12-17(21)20(14-6-3-2-4-7-14)15-9-11-26(23,24)13-15/h2-8,10,15H,9,11-13H2,1H3/t15-/m0/s1