(2-sulfanylidenepyridin-1-yl) 3-[butyl(3,3-diphenylprop-2-enyl)amino]-2,2-dimethyl-3-oxidanylidene-propanoate

Systemtic Name: (2-sulfanylidenepyridin-1-yl) 3-[butyl(3,3-diphenylprop-2-enyl)amino]-2,2-dimethyl-3-oxidanylidene-propanoate Openeye Name: (2-thioxo-1-pyridyl) 3-[butyl(3,3-diphenylallyl)amino]-2,2-dimethyl-3-oxo-propanoate CAS Name: 3-[butyl(3,3-diphenylprop-2-enyl)amino]-2,2-dimethyl-3-oxopropanoic acid (2-sulfanylidene-1-pyridinyl) ester IUPAC Name: (2-sulfanylidenepyridin-1-yl) 3-[butyl(3,3-diphenylprop-2-enyl)amino]-2,2-dimethyl-3-oxopropanoate Traditional Name: 3-[butyl(3,3-diphenylallyl)amino]-3-keto-2,2-dimethyl-propionic acid (2-thioxo-1-pyridyl) ester Formula: C29H32N2O3S MolecularWeight: 488.64098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC=C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)C(C)(C)C(=O)ON3C=CC=CC3=S

Isomeric SMILES

CCCCN(CC=C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)C(C)(C)C(=O)ON3C=CC=CC3=S

InChI

InChI=1S/C29H32N2O3S/c1-4-5-20-30(27(32)29(2,3)28(33)34-31-21-13-12-18-26(31)35)22-19-25(23-14-8-6-9-15-23)24-16-10-7-11-17-24/h6-19,21H,4-5,20,22H2,1-3H3