2-(butylamino)ethanol; (3-tert-butyl-4-oxidanyl-thiophen-2-yl)-(3-methylphenyl)methanone; hydrochloride

Systemtic Name: 2-(butylamino)ethanol; (3-tert-butyl-4-oxidanyl-thiophen-2-yl)-(3-methylphenyl)methanone; hydrochloride Openeye Name: 2-(butylamino)ethanol; (3-tert-butyl-4-hydroxy-2-thienyl)-(m-tolyl)methanone; hydrochloride CAS Name: 2-(butylamino)ethanol; (3-tert-butyl-4-hydroxy-2-thiophenyl)-(3-methylphenyl)methanone; hydrochloride IUPAC Name: 2-(butylamino)ethanol; (3-tert-butyl-4-hydroxythiophen-2-yl)-(3-methylphenyl)methanone; hydrochloride Traditional Name: 2-(butylamino)ethanol; (3-tert-butyl-4-hydroxy-2-thienyl)-(m-tolyl)methanone; hydrochloride Formula: C22H34ClNO3S MolecularWeight: 428.02826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCO.CC1=CC=CC(=C1)C(=O)C2=C(C(=CS2)O)C(C)(C)C.Cl

Isomeric SMILES

CCCCNCCO.CC1=CC=CC(=C1)C(=O)C2=C(C(=CS2)O)C(C)(C)C.Cl

InChI

InChI=1S/C16H18O2S.C6H15NO.ClH/c1-10-6-5-7-11(8-10)14(18)15-13(16(2,3)4)12(17)9-19-15;1-2-3-4-7-5-6-8;/h5-9,17H,1-4H3;7-8H,2-6H2,1H3;1H