4-(diethylamino)but-2-ynyl 2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoate hydrochloride

Systemtic Name: 4-(diethylamino)but-2-ynyl 2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoate hydrochloride Openeye Name: 4-(diethylamino)but-2-ynyl 2-hydroxy-2-phenyl-2-(2-thienyl)acetate hydrochloride CAS Name: 2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid 4-(diethylamino)but-2-ynyl ester hydrochloride IUPAC Name: 4-(diethylamino)but-2-ynyl 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate hydrochloride Traditional Name: 2-hydroxy-2-phenyl-2-(2-thienyl)acetic acid 4-(diethylamino)but-2-ynyl ester hydrochloride Formula: C20H24ClNO3S MolecularWeight: 393.92746

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CS2)O.Cl

Isomeric SMILES

CCN(CC)CC#CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CS2)O.Cl

InChI

InChI=1S/C20H23NO3S.ClH/c1-3-21(4-2)14-8-9-15-24-19(22)20(23,18-13-10-16-25-18)17-11-6-5-7-12-17;/h5-7,10-13,16,23H,3-4,14-15H2,1-2H3;1H