S-[2-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]pentanoylamino]-3-methyl-1-oxidanylidene-butan-2-yl] ethanethioate

Systemtic Name: S-[2-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]pentanoylamino]-3-methyl-1-oxidanylidene-butan-2-yl] ethanethioate Openeye Name: S-[1-[5-(1,3-dioxoisoindolin-2-yl)pentanoylamino]-1-formyl-2-methyl-propyl] ethanethioate CAS Name: ethanethioic acid S-[2-[[5-(1,3-dioxo-2-isoindolyl)-1-oxopentyl]amino]-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: S-[2-[5-(1,3-dioxoisoindol-2-yl)pentanoylamino]-3-methyl-1-oxobutan-2-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-formyl-2-methyl-1-(5-phthalimidopentanoylamino)propyl] ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C=O)(NC(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)SC(=O)C

Isomeric SMILES

CC(C)C(C=O)(NC(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)SC(=O)C

InChI

InChI=1S/C20H24N2O5S/c1-13(2)20(12-23,28-14(3)24)21-17(25)10-6-7-11-22-18(26)15-8-4-5-9-16(15)19(22)27/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,21,25)