S-methyl 4-(1,3-dihydroisoindol-2-yl)-4-methyl-pent-2-ynethioate

Systemtic Name: S-methyl 4-(1,3-dihydroisoindol-2-yl)-4-methyl-pent-2-ynethioate Openeye Name: S-methyl 4-isoindolin-2-yl-4-methyl-pent-2-ynethioate CAS Name: 4-(1,3-dihydroisoindol-2-yl)-4-methyl-2-pentynethioic acid S-methyl ester IUPAC Name: S-methyl 4-(1,3-dihydroisoindol-2-yl)-4-methylpent-2-ynethioate Traditional Name: 4-isoindolin-2-yl-4-methyl-pent-2-ynethioic acid S-methyl ester Formula: C15H17NOS MolecularWeight: 259.36658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC(=O)SC)N1CC2=CC=CC=C2C1

Isomeric SMILES

CC(C)(C#CC(=O)SC)N1CC2=CC=CC=C2C1

InChI

InChI=1S/C15H17NOS/c1-15(2,9-8-14(17)18-3)16-10-12-6-4-5-7-13(12)11-16/h4-7H,10-11H2,1-3H3