methyl 6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2,2-dimethyl-5-oxidanylidene-3,4-dihydro-1,4-thiazepine-3-carboxylate

Systemtic Name: methyl 6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2,2-dimethyl-5-oxidanylidene-3,4-dihydro-1,4-thiazepine-3-carboxylate Openeye Name: methyl 6-(1,3-dioxoisoindolin-2-yl)-2,2-dimethyl-5-oxo-3,4-dihydro-1,4-thiazepine-3-carboxylate CAS Name: 6-(1,3-dioxo-2-isoindolyl)-2,2-dimethyl-5-oxo-3,4-dihydro-1,4-thiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-(1,3-dioxoisoindol-2-yl)-2,2-dimethyl-5-oxo-3,4-dihydro-1,4-thiazepine-3-carboxylate Traditional Name: 5-keto-2,2-dimethyl-6-phthalimido-3,4-dihydro-1,4-thiazepine-3-carboxylic acid methyl ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NC(=O)C(=CS1)N2C(=O)C3=CC=CC=C3C2=O)C(=O)OC)C

Isomeric SMILES

CC1(C(NC(=O)C(=CS1)N2C(=O)C3=CC=CC=C3C2=O)C(=O)OC)C

InChI

InChI=1S/C17H16N2O5S/c1-17(2)12(16(23)24-3)18-13(20)11(8-25-17)19-14(21)9-6-4-5-7-10(9)15(19)22/h4-8,12H,1-3H3,(H,18,20)