1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]azetidine-3-carboxylic acid hydrochloride

Systemtic Name: 1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]azetidine-3-carboxylic acid hydrochloride Openeye Name: 1-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]azetidine-3-carboxylic acid hydrochloride CAS Name: 1-[4,4-bis(3-methyl-2-thiophenyl)but-3-enyl]-3-azetidinecarboxylic acid hydrochloride IUPAC Name: 1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]azetidine-3-carboxylic acid hydrochloride Traditional Name: 1-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]azetidine-3-carboxylic acid hydrochloride Formula: C18H22ClNO2S2 MolecularWeight: 383.95578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=CCCN2CC(C2)C(=O)O)C3=C(C=CS3)C.Cl

Isomeric SMILES

CC1=C(SC=C1)C(=CCCN2CC(C2)C(=O)O)C3=C(C=CS3)C.Cl

InChI

InChI=1S/C18H21NO2S2.ClH/c1-12-5-8-22-16(12)15(17-13(2)6-9-23-17)4-3-7-19-10-14(11-19)18(20)21;/h4-6,8-9,14H,3,7,10-11H2,1-2H3,(H,20,21);1H