pentamethyl 4-oxidanylidene-6-pyrrolidin-1-yl-thiochromene-2,3,5,7,8-pentacarboxylate

Systemtic Name: pentamethyl 4-oxidanylidene-6-pyrrolidin-1-yl-thiochromene-2,3,5,7,8-pentacarboxylate Openeye Name: pentamethyl 4-oxo-6-pyrrolidin-1-yl-thiochromene-2,3,5,7,8-pentacarboxylate CAS Name: 4-oxo-6-(1-pyrrolidinyl)-1-benzothiopyran-2,3,5,7,8-pentacarboxylic acid pentamethyl ester IUPAC Name: pentamethyl 4-oxo-6-pyrrolidin-1-ylthiochromene-2,3,5,7,8-pentacarboxylate Traditional Name: 4-keto-6-pyrrolidino-thiochromene-2,3,5,7,8-pentacarboxylic acid pentamethyl ester Formula: C23H23NO11S MolecularWeight: 521.49382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=C(C(=C1N3CCCC3)C(=O)OC)C(=O)OC)SC(=C(C2=O)C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)C1=C2C(=C(C(=C1N3CCCC3)C(=O)OC)C(=O)OC)SC(=C(C2=O)C(=O)OC)C(=O)OC

InChI

InChI=1S/C23H23NO11S/c1-31-19(26)10-12-16(25)14(22(29)34-4)18(23(30)35-5)36-17(12)13(21(28)33-3)11(20(27)32-2)15(10)24-8-6-7-9-24/h6-9H2,1-5H3