methyl 4-[2-(2-dimethylaminoethylsulfanyl)quinolin-3-yl]benzoate hydrochloride

Systemtic Name: methyl 4-[2-(2-dimethylaminoethylsulfanyl)quinolin-3-yl]benzoate hydrochloride Openeye Name: methyl 4-[2-(2-dimethylaminoethylsulfanyl)-3-quinolyl]benzoate hydrochloride CAS Name: 4-[2-(2-dimethylaminoethylthio)-3-quinolinyl]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[2-(2-dimethylaminoethylsulfanyl)quinolin-3-yl]benzoate hydrochloride Traditional Name: 4-[2-(2-dimethylaminoethylthio)-3-quinolyl]benzoic acid methyl ester hydrochloride Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=NC2=CC=CC=C2C=C1C3=CC=C(C=C3)C(=O)OC.Cl

Isomeric SMILES

CN(C)CCSC1=NC2=CC=CC=C2C=C1C3=CC=C(C=C3)C(=O)OC.Cl

InChI

InChI=1S/C21H22N2O2S.ClH/c1-23(2)12-13-26-20-18(14-17-6-4-5-7-19(17)22-20)15-8-10-16(11-9-15)21(24)25-3;/h4-11,14H,12-13H2,1-3H3;1H