diethyl 2-[(4-phenyl-3,4-dihydro-2H-pyrrol-5-yl)sulfanyl]propanedioate

Systemtic Name: diethyl 2-[(4-phenyl-3,4-dihydro-2H-pyrrol-5-yl)sulfanyl]propanedioate Openeye Name: diethyl 2-[(4-phenyl-3,4-dihydro-2H-pyrrol-5-yl)sulfanyl]propanedioate CAS Name: 2-[(4-phenyl-3,4-dihydro-2H-pyrrol-5-yl)thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-phenyl-3,4-dihydro-2H-pyrrol-5-yl)sulfanyl]propanedioate Traditional Name: 2-[(3-phenyl-1-pyrrolin-2-yl)thio]malonic acid diethyl ester Formula: C17H21NO4S MolecularWeight: 335.41794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NCCC1C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NCCC1C2=CC=CC=C2

InChI

InChI=1S/C17H21NO4S/c1-3-21-16(19)14(17(20)22-4-2)23-15-13(10-11-18-15)12-8-6-5-7-9-12/h5-9,13-14H,3-4,10-11H2,1-2H3