S-[1-[[4-(4-nitrophenoxy)phenyl]methyl]-5-oxidanylidene-pyrrolidin-3-yl] ethanethioate

Systemtic Name: S-[1-[[4-(4-nitrophenoxy)phenyl]methyl]-5-oxidanylidene-pyrrolidin-3-yl] ethanethioate Openeye Name: S-[1-[[4-(4-nitrophenoxy)phenyl]methyl]-5-oxo-pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[1-[[4-(4-nitrophenoxy)phenyl]methyl]-5-oxo-3-pyrrolidinyl] ester IUPAC Name: S-[1-[[4-(4-nitrophenoxy)phenyl]methyl]-5-oxopyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[5-keto-1-[4-(4-nitrophenoxy)benzyl]pyrrolidin-3-yl] ester Formula: C19H18N2O5S MolecularWeight: 386.42162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(=O)N(C1)CC2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1CC(=O)N(C1)CC2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O5S/c1-13(22)27-18-10-19(23)20(12-18)11-14-2-6-16(7-3-14)26-17-8-4-15(5-9-17)21(24)25/h2-9,18H,10-12H2,1H3