4-(diethylamino)but-2-ynyl 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate hydrochloride

Systemtic Name: 4-(diethylamino)but-2-ynyl 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate hydrochloride Openeye Name: 4-(diethylamino)but-2-ynyl 2-hydroxy-2,2-bis(2-thienyl)acetate hydrochloride CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid 4-(diethylamino)but-2-ynyl ester hydrochloride IUPAC Name: 4-(diethylamino)but-2-ynyl 2-hydroxy-2,2-dithiophen-2-ylacetate hydrochloride Traditional Name: 2-hydroxy-2,2-bis(2-thienyl)acetic acid 4-(diethylamino)but-2-ynyl ester hydrochloride Formula: C18H22ClNO3S2 MolecularWeight: 399.95518

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCOC(=O)C(C1=CC=CS1)(C2=CC=CS2)O.Cl

Isomeric SMILES

CCN(CC)CC#CCOC(=O)C(C1=CC=CS1)(C2=CC=CS2)O.Cl

InChI

InChI=1S/C18H21NO3S2.ClH/c1-3-19(4-2)11-5-6-12-22-17(20)18(21,15-9-7-13-23-15)16-10-8-14-24-16;/h7-10,13-14,21H,3-4,11-12H2,1-2H3;1H