5-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-ethoxycarbothioylsulfanyl-pentanoic acid

Systemtic Name: 5-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-ethoxycarbothioylsulfanyl-pentanoic acid Openeye Name: 5-(1,3-dioxoisoindolin-2-yl)-4-ethoxycarbothioylsulfanyl-pentanoic acid CAS Name: 5-(1,3-dioxo-2-isoindolyl)-4-[[ethoxy(sulfanylidene)methyl]thio]pentanoic acid IUPAC Name: 5-(1,3-dioxoisoindol-2-yl)-4-ethoxycarbothioylsulfanylpentanoic acid Traditional Name: 4-(ethoxycarbothioylthio)-5-phthalimido-valeric acid Formula: C16H17NO5S2 MolecularWeight: 367.43988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CCC(=O)O)CN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCOC(=S)SC(CCC(=O)O)CN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C16H17NO5S2/c1-2-22-16(23)24-10(7-8-13(18)19)9-17-14(20)11-5-3-4-6-12(11)15(17)21/h3-6,10H,2,7-9H2,1H3,(H,18,19)