2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-5-yl]ethanoate; (phenylmethyl)azanium

Systemtic Name: 2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-5-yl]ethanoate; (phenylmethyl)azanium Openeye Name: benzylammonium; 2-[4-oxo-2-phenylimino-3-(tetrahydrofuran-2-ylmethyl)thiazolidin-5-yl]acetate CAS Name: 2-[4-oxo-3-(2-oxolanylmethyl)-2-phenylimino-5-thiazolidinyl]acetate; (phenylmethyl)ammonium IUPAC Name: benzylazanium; 2-[4-oxo-3-(oxolan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-5-yl]acetate Traditional Name: benzylammonium; 2-[4-keto-2-phenylimino-3-(tetrahydrofurfuryl)thiazolidin-5-yl]acetate Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C(SC2=NC3=CC=CC=C3)CC(=O)[O-].C1=CC=C(C=C1)C[NH3+]

Isomeric SMILES

C1CC(OC1)CN2C(=O)C(SC2=NC3=CC=CC=C3)CC(=O)[O-].C1=CC=C(C=C1)C[NH3+]

InChI

InChI=1S/C16H18N2O4S.C7H9N/c19-14(20)9-13-15(21)18(10-12-7-4-8-22-12)16(23-13)17-11-5-2-1-3-6-11;8-6-7-4-2-1-3-5-7/h1-3,5-6,12-13H,4,7-10H2,(H,19,20);1-5H,6,8H2