(6-oxidanylidenecyclohexa-1,3-dien-1-yl) 2-methyl-2-(phenylmethyl)-3-[(4-phenyl-1,3-thiazol-2-yl)amino]propanoate

Systemtic Name: (6-oxidanylidenecyclohexa-1,3-dien-1-yl) 2-methyl-2-(phenylmethyl)-3-[(4-phenyl-1,3-thiazol-2-yl)amino]propanoate Openeye Name: (6-oxocyclohexa-1,3-dien-1-yl) 2-benzyl-2-methyl-3-[(4-phenylthiazol-2-yl)amino]propanoate CAS Name: 2-methyl-2-(phenylmethyl)-3-[(4-phenyl-2-thiazolyl)amino]propanoic acid (6-oxo-1-cyclohexa-1,3-dienyl) ester IUPAC Name: (6-oxocyclohexa-1,3-dien-1-yl) 2-benzyl-2-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)amino]propanoate Traditional Name: 2-benzyl-2-methyl-3-[(4-phenylthiazol-2-yl)amino]propionic acid (6-ketocyclohexa-1,3-dien-1-yl) ester Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)(CNC2=NC(=CS2)C3=CC=CC=C3)C(=O)OC4=CC=CCC4=O

Isomeric SMILES

CC(CC1=CC=CC=C1)(CNC2=NC(=CS2)C3=CC=CC=C3)C(=O)OC4=CC=CCC4=O

InChI

InChI=1S/C26H24N2O3S/c1-26(16-19-10-4-2-5-11-19,24(30)31-23-15-9-8-14-22(23)29)18-27-25-28-21(17-32-25)20-12-6-3-7-13-20/h2-13,15,17H,14,16,18H2,1H3,(H,27,28)