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

Systemtic Name: (6-oxidanylidenecyclohexa-1,3-dien-1-yl) 2-[[ethyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]-2-methyl-3-phenyl-propanoate Openeye Name: (6-oxocyclohexa-1,3-dien-1-yl) 2-benzyl-3-[ethyl-(4-phenylthiazol-2-yl)amino]-2-methyl-propanoate CAS Name: 2-[[ethyl-(4-phenyl-2-thiazolyl)amino]methyl]-2-methyl-3-phenylpropanoic acid (6-oxo-1-cyclohexa-1,3-dienyl) ester IUPAC Name: (6-oxocyclohexa-1,3-dien-1-yl) 2-benzyl-3-[ethyl-(4-phenyl-1,3-thiazol-2-yl)amino]-2-methylpropanoate Traditional Name: 2-benzyl-3-[ethyl-(4-phenylthiazol-2-yl)amino]-2-methyl-propionic acid (6-ketocyclohexa-1,3-dien-1-yl) ester Formula: C28H28N2O3S MolecularWeight: 472.59852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O3S/c1-3-30(27-29-23(19-34-27)22-14-8-5-9-15-22)20-28(2,18-21-12-6-4-7-13-21)26(32)33-25-17-11-10-16-24(25)31/h4-15,17,19H,3,16,18,20H2,1-2H3