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

Systemtic Name: tert-butyl 3-azanyl-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-sulfanylidene-propanoate Openeye Name: tert-butyl 3-amino-2-(1,3-dioxoisoindolin-2-yl)-3-thioxo-propanoate CAS Name: 3-amino-2-(1,3-dioxo-2-isoindolyl)-3-sulfanylidenepropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-amino-2-(1,3-dioxoisoindol-2-yl)-3-sulfanylidenepropanoate Traditional Name: 3-amino-2-phthalimido-3-thioxo-propionic acid tert-butyl ester Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4S/c1-15(2,3)21-14(20)10(11(16)22)17-12(18)8-6-4-5-7-9(8)13(17)19/h4-7,10H,1-3H3,(H2,16,22)