2-(3-cyclohexyl-2-ethylimino-4-oxidanylidene-1,3-thiazolidin-5-yl)ethanoic acid; phenylmethanamine

Systemtic Name: 2-(3-cyclohexyl-2-ethylimino-4-oxidanylidene-1,3-thiazolidin-5-yl)ethanoic acid; phenylmethanamine Openeye Name: 2-(3-cyclohexyl-2-ethylimino-4-oxo-thiazolidin-5-yl)acetic acid; phenylmethanamine CAS Name: 2-(3-cyclohexyl-2-ethylimino-4-oxo-5-thiazolidinyl)acetic acid; phenylmethanamine IUPAC Name: 2-(3-cyclohexyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetic acid; phenylmethanamine Traditional Name: benzylamine; 2-(3-cyclohexyl-2-ethylimino-4-keto-thiazolidin-5-yl)acetic acid Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C1N(C(=O)C(S1)CC(=O)O)C2CCCCC2.C1=CC=C(C=C1)CN

Isomeric SMILES

CCN=C1N(C(=O)C(S1)CC(=O)O)C2CCCCC2.C1=CC=C(C=C1)CN

InChI

InChI=1S/C13H20N2O3S.C7H9N/c1-2-14-13-15(9-6-4-3-5-7-9)12(18)10(19-13)8-11(16)17;8-6-7-4-2-1-3-5-7/h9-10H,2-8H2,1H3,(H,16,17);1-5H,6,8H2