S-methyl 4-methyl-4-piperidin-1-yl-pent-2-ynethioate

Systemtic Name: S-methyl 4-methyl-4-piperidin-1-yl-pent-2-ynethioate Openeye Name: S-methyl 4-methyl-4-(1-piperidyl)pent-2-ynethioate CAS Name: 4-methyl-4-(1-piperidinyl)-2-pentynethioic acid S-methyl ester IUPAC Name: S-methyl 4-methyl-4-piperidin-1-ylpent-2-ynethioate Traditional Name: 4-methyl-4-piperidino-pent-2-ynethioic acid S-methyl ester Formula: C12H19NOS MolecularWeight: 225.35036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC(=O)SC)N1CCCCC1

Isomeric SMILES

CC(C)(C#CC(=O)SC)N1CCCCC1

InChI

InChI=1S/C12H19NOS/c1-12(2,8-7-11(14)15-3)13-9-5-4-6-10-13/h4-6,9-10H2,1-3H3