(1-methylpiperidin-4-yl) 5-methyl-2-oxidanyl-2-thiophen-2-yl-hex-5-en-3-ynoate

Systemtic Name: (1-methylpiperidin-4-yl) 5-methyl-2-oxidanyl-2-thiophen-2-yl-hex-5-en-3-ynoate Openeye Name: (1-methyl-4-piperidyl) 2-hydroxy-5-methyl-2-(2-thienyl)hex-5-en-3-ynoate CAS Name: 2-hydroxy-5-methyl-2-thiophen-2-ylhex-5-en-3-ynoic acid (1-methyl-4-piperidinyl) ester IUPAC Name: (1-methylpiperidin-4-yl) 2-hydroxy-5-methyl-2-thiophen-2-ylhex-5-en-3-ynoate Traditional Name: 2-hydroxy-5-methyl-2-(2-thienyl)hex-5-en-3-ynoic acid (1-methyl-4-piperidyl) ester Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C#CC(C1=CC=CS1)(C(=O)OC2CCN(CC2)C)O

Isomeric SMILES

CC(=C)C#CC(C1=CC=CS1)(C(=O)OC2CCN(CC2)C)O

InChI

InChI=1S/C17H21NO3S/c1-13(2)6-9-17(20,15-5-4-12-22-15)16(19)21-14-7-10-18(3)11-8-14/h4-5,12,14,20H,1,7-8,10-11H2,2-3H3