phenyl 2-[1-[3-(diethylamino)prop-1-ynyl]cyclohexyl]-2-oxidanyl-2-thiophen-2-yl-ethanoate hydrochloride

Systemtic Name: phenyl 2-[1-[3-(diethylamino)prop-1-ynyl]cyclohexyl]-2-oxidanyl-2-thiophen-2-yl-ethanoate hydrochloride Openeye Name: phenyl 2-[1-[3-(diethylamino)prop-1-ynyl]cyclohexyl]-2-hydroxy-2-(2-thienyl)acetate hydrochloride CAS Name: 2-[1-[3-(diethylamino)prop-1-ynyl]cyclohexyl]-2-hydroxy-2-thiophen-2-ylacetic acid phenyl ester hydrochloride IUPAC Name: phenyl 2-[1-[3-(diethylamino)prop-1-ynyl]cyclohexyl]-2-hydroxy-2-thiophen-2-ylacetate hydrochloride Traditional Name: 2-[1-[3-(diethylamino)prop-1-ynyl]cyclohexyl]-2-hydroxy-2-(2-thienyl)acetic acid phenyl ester hydrochloride Formula: C25H32ClNO3S MolecularWeight: 462.04448

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CC1(CCCCC1)C(C2=CC=CS2)(C(=O)OC3=CC=CC=C3)O.Cl

Isomeric SMILES

CCN(CC)CC#CC1(CCCCC1)C(C2=CC=CS2)(C(=O)OC3=CC=CC=C3)O.Cl

InChI

InChI=1S/C25H31NO3S.ClH/c1-3-26(4-2)19-12-18-24(16-9-6-10-17-24)25(28,22-15-11-20-30-22)23(27)29-21-13-7-5-8-14-21;/h5,7-8,11,13-15,20,28H,3-4,6,9-10,16-17,19H2,1-2H3;1H