diethyl (E)-2-butyl-3-[(3-methylsulfanylphenyl)amino]but-2-enedioate

Systemtic Name: diethyl (E)-2-butyl-3-[(3-methylsulfanylphenyl)amino]but-2-enedioate Openeye Name: diethyl (E)-2-butyl-3-(3-methylsulfanylanilino)but-2-enedioate CAS Name: (E)-2-butyl-3-[3-(methylthio)anilino]-2-butenedioic acid diethyl ester IUPAC Name: diethyl (E)-2-butyl-3-(3-methylsulfanylanilino)but-2-enedioate Traditional Name: (E)-2-butyl-3-[3-(methylthio)anilino]but-2-enedioic acid diethyl ester Formula: C19H27NO4S MolecularWeight: 365.48698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(C(=O)OCC)NC1=CC(=CC=C1)SC)C(=O)OCC

Isomeric SMILES

CCCC/C(=C(/C(=O)OCC)\NC1=CC(=CC=C1)SC)/C(=O)OCC

InChI

InChI=1S/C19H27NO4S/c1-5-8-12-16(18(21)23-6-2)17(19(22)24-7-3)20-14-10-9-11-15(13-14)25-4/h9-11,13,20H,5-8,12H2,1-4H3/b17-16+