S-ethyl (2S,3R,4S)-3-acetamido-4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-pentan-3-yloxy-hex-5-enethioate

Systemtic Name: S-ethyl (2S,3R,4S)-3-acetamido-4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-pentan-3-yloxy-hex-5-enethioate Openeye Name: S-ethyl (2S,3R,4S)-3-acetamido-4-(1,3-dioxoisoindolin-2-yl)-2-(1-ethylpropoxy)hex-5-enethioate CAS Name: (2S,3R,4S)-3-acetamido-4-(1,3-dioxo-2-isoindolyl)-2-pentan-3-yloxy-5-hexenethioic acid S-ethyl ester IUPAC Name: S-ethyl (2S,3R,4S)-3-acetamido-4-(1,3-dioxoisoindol-2-yl)-2-pentan-3-yloxyhex-5-enethioate Traditional Name: (2S,3R,4S)-3-acetamido-2-(1-ethylpropoxy)-4-phthalimido-hex-5-enethioic acid S-ethyl ester Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC(C(C(C=C)N1C(=O)C2=CC=CC=C2C1=O)NC(=O)C)C(=O)SCC

Isomeric SMILES

CCC(CC)O[C@@H]([C@@H]([C@H](C=C)N1C(=O)C2=CC=CC=C2C1=O)NC(=O)C)C(=O)SCC

InChI

InChI=1S/C23H30N2O5S/c1-6-15(7-2)30-20(23(29)31-9-4)19(24-14(5)26)18(8-3)25-21(27)16-12-10-11-13-17(16)22(25)28/h8,10-13,15,18-20H,3,6-7,9H2,1-2,4-5H3,(H,24,26)/t18-,19+,20-/m0/s1