2-(1,4-thiazepan-4-yl)ethyl 2,2-diphenylethanoate hydrochloride

Systemtic Name: 2-(1,4-thiazepan-4-yl)ethyl 2,2-diphenylethanoate hydrochloride Openeye Name: 2-(1,4-thiazepan-4-yl)ethyl 2,2-diphenylacetate hydrochloride CAS Name: 2,2-diphenylacetic acid 2-(1,4-thiazepan-4-yl)ethyl ester hydrochloride IUPAC Name: 2-(1,4-thiazepan-4-yl)ethyl 2,2-diphenylacetate hydrochloride Traditional Name: 2,2-diphenylacetic acid 2-(1,4-thiazepan-4-yl)ethyl ester hydrochloride Formula: C21H26ClNO2S MolecularWeight: 391.95464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCSC1)CCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl

Isomeric SMILES

C1CN(CCSC1)CCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl

InChI

InChI=1S/C21H25NO2S.ClH/c23-21(24-15-13-22-12-7-16-25-17-14-22)20(18-8-3-1-4-9-18)19-10-5-2-6-11-19;/h1-6,8-11,20H,7,12-17H2;1H