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

Systemtic Name: tert-butyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(dimethylaminomethylideneamino)-3-sulfanylidene-propanoate Openeye Name: tert-butyl 3-(dimethylaminomethyleneamino)-2-(1,3-dioxoisoindolin-2-yl)-3-thioxo-propanoate CAS Name: 3-(dimethylaminomethylideneamino)-2-(1,3-dioxo-2-isoindolyl)-3-sulfanylidenepropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(dimethylaminomethylideneamino)-2-(1,3-dioxoisoindol-2-yl)-3-sulfanylidenepropanoate Traditional Name: 3-(dimethylaminomethyleneamino)-2-phthalimido-3-thioxo-propionic acid tert-butyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(=S)N=CN(C)C)N1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CC(C)(C)OC(=O)C(C(=S)N=CN(C)C)N1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C18H21N3O4S/c1-18(2,3)25-17(24)13(14(26)19-10-20(4)5)21-15(22)11-8-6-7-9-12(11)16(21)23/h6-10,13H,1-5H3