S-[1-[[6-(4-ethylphenoxy)pyridin-3-yl]methyl]-5-oxidanylidene-pyrrolidin-3-yl] ethanethioate

Systemtic Name: S-[1-[[6-(4-ethylphenoxy)pyridin-3-yl]methyl]-5-oxidanylidene-pyrrolidin-3-yl] ethanethioate Openeye Name: S-[1-[[6-(4-ethylphenoxy)-3-pyridyl]methyl]-5-oxo-pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[1-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]-5-oxo-3-pyrrolidinyl] ester IUPAC Name: S-[1-[[6-(4-ethylphenoxy)pyridin-3-yl]methyl]-5-oxopyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-[[6-(4-ethylphenoxy)-3-pyridyl]methyl]-5-keto-pyrrolidin-3-yl] ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=C(C=C2)CN3CC(CC3=O)SC(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=C(C=C2)CN3CC(CC3=O)SC(=O)C

InChI

InChI=1S/C20H22N2O3S/c1-3-15-4-7-17(8-5-15)25-19-9-6-16(11-21-19)12-22-13-18(10-20(22)24)26-14(2)23/h4-9,11,18H,3,10,12-13H2,1-2H3