2-diethylaminoethyl 3,5-diisothiocyanatobenzoate chloride

Systemtic Name: 2-diethylaminoethyl 3,5-diisothiocyanatobenzoate chloride Openeye Name: 2-diethylaminoethyl 3,5-diisothiocyanatobenzoate chloride CAS Name: 3,5-diisothiocyanatobenzoic acid 2-diethylaminoethyl ester chloride IUPAC Name: 2-diethylaminoethyl 3,5-diisothiocyanatobenzoate chloride Traditional Name: 3,5-diisothiocyanatobenzoic acid 2-diethylaminoethyl ester chloride Formula: C15H17ClN3O2S2- MolecularWeight: 370.89738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O2S2.ClH/c1-3-18(4-2)5-6-20-15(19)12-7-13(16-10-21)9-14(8-12)17-11-22;/h7-9H,3-6H2,1-2H3;1H/p-1