[(Z)-4-(dimethylamino)-2-oxidanylidene-3-phenylsulfanyl-but-3-enyl] 2,2-dimethylpropanoate

Systemtic Name: [(Z)-4-(dimethylamino)-2-oxidanylidene-3-phenylsulfanyl-but-3-enyl] 2,2-dimethylpropanoate Openeye Name: [(Z)-4-(dimethylamino)-2-oxo-3-phenylsulfanyl-but-3-enyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(Z)-4-(dimethylamino)-2-oxo-3-(phenylthio)but-3-enyl] ester IUPAC Name: [(Z)-4-(dimethylamino)-2-oxo-3-phenylsulfanylbut-3-enyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(Z)-4-(dimethylamino)-2-keto-3-(phenylthio)but-3-enyl] ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC(=O)C(=CN(C)C)SC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C(=O)OCC(=O)/C(=C/N(C)C)/SC1=CC=CC=C1

InChI

InChI=1S/C17H23NO3S/c1-17(2,3)16(20)21-12-14(19)15(11-18(4)5)22-13-9-7-6-8-10-13/h6-11H,12H2,1-5H3/b15-11-