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

Systemtic Name: 2-diethylaminoethyl 4-azanyl-3-sulfanyl-benzoate Openeye Name: 2-diethylaminoethyl 4-amino-3-sulfanyl-benzoate CAS Name: 4-amino-3-mercaptobenzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-amino-3-sulfanylbenzoate Traditional Name: 4-amino-3-mercapto-benzoic acid 2-diethylaminoethyl ester Formula: C13H20N2O2S MolecularWeight: 268.3751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2S/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