S-methyl 4-methyl-4-[methyl(phenethyl)amino]pent-2-ynethioate

Systemtic Name: S-methyl 4-methyl-4-[methyl(phenethyl)amino]pent-2-ynethioate Openeye Name: S-methyl 4-methyl-4-[methyl(phenethyl)amino]pent-2-ynethioate CAS Name: 4-methyl-4-[methyl(phenethyl)amino]-2-pentynethioic acid S-methyl ester IUPAC Name: S-methyl 4-methyl-4-[methyl(phenethyl)amino]pent-2-ynethioate Traditional Name: 4-methyl-4-[methyl(phenethyl)amino]pent-2-ynethioic acid S-methyl ester Formula: C16H21NOS MolecularWeight: 275.40904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC(=O)SC)N(C)CCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C#CC(=O)SC)N(C)CCC1=CC=CC=C1

InChI

InChI=1S/C16H21NOS/c1-16(2,12-10-15(18)19-4)17(3)13-11-14-8-6-5-7-9-14/h5-9H,11,13H2,1-4H3