ethyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]sulfanyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: ethyl 3-[1,3-bis(oxidanylidene)isoindol-2-yl]sulfanyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: ethyl 2-(benzyloxycarbonylamino)-3-(1,3-dioxoisoindolin-2-yl)sulfanyl-propanoate CAS Name: 3-[(1,3-dioxo-2-isoindolyl)thio]-2-(phenylmethoxycarbonylamino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-dioxoisoindol-2-yl)sulfanyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(phthalimidothio)propionic acid ethyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSN1C(=O)C2=CC=CC=C2C1=O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CSN1C(=O)C2=CC=CC=C2C1=O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O6S/c1-2-28-20(26)17(22-21(27)29-12-14-8-4-3-5-9-14)13-30-23-18(24)15-10-6-7-11-16(15)19(23)25/h3-11,17H,2,12-13H2,1H3,(H,22,27)