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

Systemtic Name: (6-oxidanylidenecyclohexa-1,3-dien-1-yl) 2-methyl-2-(phenylmethyl)-3-[(4-phenyl-1,3-thiazol-2-yl)-propyl-amino]propanoate Openeye Name: (6-oxocyclohexa-1,3-dien-1-yl) 2-benzyl-2-methyl-3-[(4-phenylthiazol-2-yl)-propyl-amino]propanoate CAS Name: 2-methyl-2-(phenylmethyl)-3-[(4-phenyl-2-thiazolyl)-propylamino]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)-propylamino]propanoate Traditional Name: 2-benzyl-2-methyl-3-[(4-phenylthiazol-2-yl)-propyl-amino]propionic acid (6-ketocyclohexa-1,3-dien-1-yl) ester Formula: C29H30N2O3S MolecularWeight: 486.6251

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(C)(CC1=CC=CC=C1)C(=O)OC2=CC=CCC2=O)C3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

CCCN(CC(C)(CC1=CC=CC=C1)C(=O)OC2=CC=CCC2=O)C3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C29H30N2O3S/c1-3-18-31(28-30-24(20-35-28)23-14-8-5-9-15-23)21-29(2,19-22-12-6-4-7-13-22)27(33)34-26-17-11-10-16-25(26)32/h4-15,17,20H,3,16,18-19,21H2,1-2H3