2-diethylaminoethyl 4-azanyl-3-sulfanyl-benzoate hydrochloride

Systemtic Name: 2-diethylaminoethyl 4-azanyl-3-sulfanyl-benzoate hydrochloride Openeye Name: 2-diethylaminoethyl 4-amino-3-sulfanyl-benzoate hydrochloride CAS Name: 4-amino-3-mercaptobenzoic acid 2-diethylaminoethyl ester hydrochloride IUPAC Name: 2-diethylaminoethyl 4-amino-3-sulfanylbenzoate hydrochloride Traditional Name: 4-amino-3-mercapto-benzoic acid 2-diethylaminoethyl ester hydrochloride Formula: C13H21ClN2O2S MolecularWeight: 304.83604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2S.ClH/c1-3-15(4-2)7-8-17-13(16)10-5-6-11(14)12(18)9-10;/h5-6,9,18H,3-4,7-8,14H2,1-2H3;1H