S-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methanoyl-2-oxidanylidene-hexan-3-yl] ethanethioate

Systemtic Name: S-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-methanoyl-2-oxidanylidene-hexan-3-yl] ethanethioate Openeye Name: S-[1-acetyl-4-(1,3-dioxoisoindolin-2-yl)-1-formyl-butyl] ethanethioate CAS Name: ethanethioic acid S-[6-(1,3-dioxo-2-isoindolyl)-3-formyl-2-oxohexan-3-yl] ester IUPAC Name: S-[6-(1,3-dioxoisoindol-2-yl)-3-formyl-2-oxohexan-3-yl] ethanethioate Traditional Name: ethanethioic acid S-(1-acetyl-1-formyl-4-phthalimido-butyl) ester Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCN1C(=O)C2=CC=CC=C2C1=O)(C=O)SC(=O)C

Isomeric SMILES

CC(=O)C(CCCN1C(=O)C2=CC=CC=C2C1=O)(C=O)SC(=O)C

InChI

InChI=1S/C17H17NO5S/c1-11(20)17(10-19,24-12(2)21)8-5-9-18-15(22)13-6-3-4-7-14(13)16(18)23/h3-4,6-7,10H,5,8-9H2,1-2H3