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

Systemtic Name: 2-(3-tert-butyl-2-ethylimino-4-oxidanylidene-1,3-thiazolidin-5-yl)ethanoic acid; phenylmethanamine Openeye Name: 2-(3-tert-butyl-2-ethylimino-4-oxo-thiazolidin-5-yl)acetic acid; phenylmethanamine CAS Name: 2-(3-tert-butyl-2-ethylimino-4-oxo-5-thiazolidinyl)acetic acid; phenylmethanamine IUPAC Name: 2-(3-tert-butyl-2-ethylimino-4-oxo-1,3-thiazolidin-5-yl)acetic acid; phenylmethanamine Traditional Name: benzylamine; 2-(3-tert-butyl-2-ethylimino-4-keto-thiazolidin-5-yl)acetic acid Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N2O3S.C7H9N/c1-5-12-10-13(11(2,3)4)9(16)7(17-10)6-8(14)15;8-6-7-4-2-1-3-5-7/h7H,5-6H2,1-4H3,(H,14,15);1-5H,6,8H2