S-[5-oxidanylidene-1-[(4-pyridin-2-yloxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate

Systemtic Name: S-[5-oxidanylidene-1-[(4-pyridin-2-yloxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate Openeye Name: S-[5-oxo-1-[[4-(2-pyridyloxy)phenyl]methyl]pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[5-oxo-1-[[4-(2-pyridinyloxy)phenyl]methyl]-3-pyrrolidinyl] ester IUPAC Name: S-[5-oxo-1-[(4-pyridin-2-yloxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[5-keto-1-[4-(2-pyridyloxy)benzyl]pyrrolidin-3-yl] ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(=O)N(C1)CC2=CC=C(C=C2)OC3=CC=CC=N3

Isomeric SMILES

CC(=O)SC1CC(=O)N(C1)CC2=CC=C(C=C2)OC3=CC=CC=N3

InChI

InChI=1S/C18H18N2O3S/c1-13(21)24-16-10-18(22)20(12-16)11-14-5-7-15(8-6-14)23-17-4-2-3-9-19-17/h2-9,16H,10-12H2,1H3