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

Systemtic Name: 2-diethylaminoethyl 2-(4-isothiocyanatophenyl)-2-phenyl-propanoate Openeye Name: 2-diethylaminoethyl 2-(4-isothiocyanatophenyl)-2-phenyl-propanoate CAS Name: 2-(4-isothiocyanatophenyl)-2-phenylpropanoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 2-(4-isothiocyanatophenyl)-2-phenylpropanoate Traditional Name: 2-(4-isothiocyanatophenyl)-2-phenyl-propionic acid 2-diethylaminoethyl ester Formula: C22H26N2O2S MolecularWeight: 382.51904

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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

Isomeric SMILES

CCN(CC)CCOC(=O)C(C)(C1=CC=CC=C1)C2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C22H26N2O2S/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/h6-14H,4-5,15-16H2,1-3H3