4-(3-butyl-3-ethyl-4,5-dihydro-2H-1,4-benzothiazepin-5-yl)phenol hydrochloride

Systemtic Name: 4-(3-butyl-3-ethyl-4,5-dihydro-2H-1,4-benzothiazepin-5-yl)phenol hydrochloride Openeye Name: 4-(3-butyl-3-ethyl-4,5-dihydro-2H-1,4-benzothiazepin-5-yl)phenol hydrochloride CAS Name: 4-(3-butyl-3-ethyl-4,5-dihydro-2H-1,4-benzothiazepin-5-yl)phenol hydrochloride IUPAC Name: 4-(3-butyl-3-ethyl-4,5-dihydro-2H-1,4-benzothiazepin-5-yl)phenol hydrochloride Traditional Name: 4-(3-butyl-3-ethyl-4,5-dihydro-2H-1,4-benzothiazepin-5-yl)phenol hydrochloride Formula: C21H28ClNOS MolecularWeight: 377.97112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CSC2=CC=CC=C2C(N1)C3=CC=C(C=C3)O)CC.Cl

Isomeric SMILES

CCCCC1(CSC2=CC=CC=C2C(N1)C3=CC=C(C=C3)O)CC.Cl

InChI

InChI=1S/C21H27NOS.ClH/c1-3-5-14-21(4-2)15-24-19-9-7-6-8-18(19)20(22-21)16-10-12-17(23)13-11-16;/h6-13,20,22-23H,3-5,14-15H2,1-2H3;1H