tert-butyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(piperidin-1-ylmethylideneamino)-3-sulfanylidene-propanoate

Systemtic Name: tert-butyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(piperidin-1-ylmethylideneamino)-3-sulfanylidene-propanoate Openeye Name: tert-butyl 2-(1,3-dioxoisoindolin-2-yl)-3-(1-piperidylmethyleneamino)-3-thioxo-propanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-(1-piperidinylmethylideneamino)-3-sulfanylidenepropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1,3-dioxoisoindol-2-yl)-3-(piperidin-1-ylmethylideneamino)-3-sulfanylidenepropanoate Traditional Name: 2-phthalimido-3-(piperidinomethyleneamino)-3-thioxo-propionic acid tert-butyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(=S)N=CN1CCCCC1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(C)OC(=O)C(C(=S)N=CN1CCCCC1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H25N3O4S/c1-21(2,3)28-20(27)16(17(29)22-13-23-11-7-4-8-12-23)24-18(25)14-9-5-6-10-15(14)19(24)26/h5-6,9-10,13,16H,4,7-8,11-12H2,1-3H3