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

Systemtic Name: S-methyl 4-methyl-4-[methyl(phenyl)amino]pent-2-ynethioate Openeye Name: S-methyl 4-methyl-4-(N-methylanilino)pent-2-ynethioate CAS Name: 4-methyl-4-(N-methylanilino)-2-pentynethioic acid S-methyl ester IUPAC Name: S-methyl 4-methyl-4-(N-methylanilino)pent-2-ynethioate Traditional Name: 4-methyl-4-(N-methylanilino)pent-2-ynethioic acid S-methyl ester Formula: C14H17NOS MolecularWeight: 247.35588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NOS/c1-14(2,11-10-13(16)17-4)15(3)12-8-6-5-7-9-12/h5-9H,1-4H3