diethyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]sulfanylphenyl]propanedioate

Systemtic Name: diethyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]sulfanylphenyl]propanedioate Openeye Name: diethyl 2-[4-(1-tert-butoxycarbonylpyrrolidin-3-yl)sulfanylphenyl]propanedioate CAS Name: 2-[4-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinyl]thio]phenyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]sulfanylphenyl]propanedioate Traditional Name: 2-[4-[(1-tert-butoxycarbonylpyrrolidin-3-yl)thio]phenyl]malonic acid diethyl ester Formula: C22H31NO6S MolecularWeight: 437.54964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)SC2CCN(C2)C(=O)OC(C)(C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)SC2CCN(C2)C(=O)OC(C)(C)C)C(=O)OCC

InChI

InChI=1S/C22H31NO6S/c1-6-27-19(24)18(20(25)28-7-2)15-8-10-16(11-9-15)30-17-12-13-23(14-17)21(26)29-22(3,4)5/h8-11,17-18H,6-7,12-14H2,1-5H3