(6-oxidanylidenecyclohexa-1,3-dien-1-yl) 2-[[(4,5-dimethyl-1,3-thiazol-2-yl)-propyl-amino]methyl]-2-methyl-3-phenyl-propanoate

Systemtic Name: (6-oxidanylidenecyclohexa-1,3-dien-1-yl) 2-[[(4,5-dimethyl-1,3-thiazol-2-yl)-propyl-amino]methyl]-2-methyl-3-phenyl-propanoate Openeye Name: (6-oxocyclohexa-1,3-dien-1-yl) 2-benzyl-3-[(4,5-dimethylthiazol-2-yl)-propyl-amino]-2-methyl-propanoate CAS Name: 2-[[(4,5-dimethyl-2-thiazolyl)-propylamino]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-[(4,5-dimethyl-1,3-thiazol-2-yl)-propylamino]-2-methylpropanoate Traditional Name: 2-benzyl-3-[(4,5-dimethylthiazol-2-yl)-propyl-amino]-2-methyl-propionic acid (6-ketocyclohexa-1,3-dien-1-yl) ester Formula: C25H30N2O3S MolecularWeight: 438.5823

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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(=C(S3)C)C

Isomeric SMILES

CCCN(CC(C)(CC1=CC=CC=C1)C(=O)OC2=CC=CCC2=O)C3=NC(=C(S3)C)C

InChI

InChI=1S/C25H30N2O3S/c1-5-15-27(24-26-18(2)19(3)31-24)17-25(4,16-20-11-7-6-8-12-20)23(29)30-22-14-10-9-13-21(22)28/h6-12,14H,5,13,15-17H2,1-4H3