2-dimethylaminoethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)-2-sulfanyl-ethanoate hydrochloride

Systemtic Name: 2-dimethylaminoethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)-2-sulfanyl-ethanoate hydrochloride Openeye Name: 2-dimethylaminoethyl 2-(4,5-diphenyloxazol-2-yl)-2-sulfanyl-acetate hydrochloride CAS Name: 2-(4,5-diphenyl-2-oxazolyl)-2-mercaptoacetic acid 2-dimethylaminoethyl ester hydrochloride IUPAC Name: 2-dimethylaminoethyl 2-(4,5-diphenyl-1,3-oxazol-2-yl)-2-sulfanylacetate hydrochloride Traditional Name: 2-(4,5-diphenyloxazol-2-yl)-2-mercapto-acetic acid 2-dimethylaminoethyl ester hydrochloride Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C(C1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3)S.Cl

Isomeric SMILES

CN(C)CCOC(=O)C(C1=NC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3)S.Cl

InChI

InChI=1S/C21H22N2O3S.ClH/c1-23(2)13-14-25-21(24)19(27)20-22-17(15-9-5-3-6-10-15)18(26-20)16-11-7-4-8-12-16;/h3-12,19,27H,13-14H2,1-2H3;1H