2-diethylaminoethyl 4-azanyl-2-methylsulfanyl-benzoate hydrochloride

Systemtic Name: 2-diethylaminoethyl 4-azanyl-2-methylsulfanyl-benzoate hydrochloride Openeye Name: 2-diethylaminoethyl 4-amino-2-methylsulfanyl-benzoate hydrochloride CAS Name: 4-amino-2-(methylthio)benzoic acid 2-diethylaminoethyl ester hydrochloride IUPAC Name: 2-diethylaminoethyl 4-amino-2-methylsulfanylbenzoate hydrochloride Traditional Name: 4-amino-2-(methylthio)benzoic acid 2-diethylaminoethyl ester hydrochloride Formula: C14H23ClN2O2S MolecularWeight: 318.86262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)SC.Cl

Isomeric SMILES

CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)SC.Cl

InChI

InChI=1S/C14H22N2O2S.ClH/c1-4-16(5-2)8-9-18-14(17)12-7-6-11(15)10-13(12)19-3;/h6-7,10H,4-5,8-9,15H2,1-3H3;1H