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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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