2-diethylaminoethyl 2-(4-isothiocyanatophenyl)-2-phenyl-propanoate; ethanedioate

Systemtic Name: 2-diethylaminoethyl 2-(4-isothiocyanatophenyl)-2-phenyl-propanoate; ethanedioate Openeye Name: 2-diethylaminoethyl 2-(4-isothiocyanatophenyl)-2-phenyl-propanoate; oxalate CAS Name: 2-(4-isothiocyanatophenyl)-2-phenylpropanoic acid 2-diethylaminoethyl ester; oxalate IUPAC Name: 2-diethylaminoethyl 2-(4-isothiocyanatophenyl)-2-phenylpropanoate; oxalate Traditional Name: 2-(4-isothiocyanatophenyl)-2-phenyl-propionic acid 2-diethylaminoethyl ester; oxalate Formula: C24H26N2O6S-2 MolecularWeight: 470.53804

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C(C)(C1=CC=CC=C1)C2=CC=C(C=C2)N=C=S.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCN(CC)CCOC(=O)C(C)(C1=CC=CC=C1)C2=CC=C(C=C2)N=C=S.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C22H26N2O2S.C2H2O4/c1-4-24(5-2)15-16-26-21(25)22(3,18-9-7-6-8-10-18)19-11-13-20(14-12-19)23-17-27;3-1(4)2(5)6/h6-14H,4-5,15-16H2,1-3H3;(H,3,4)(H,5,6)/p-2