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

Systemtic Name: S-[[1-[[6-(4-ethylphenoxy)pyridin-3-yl]methyl]-5-oxidanylidene-pyrrolidin-3-yl]methyl] carbamothioate Openeye Name: S-[[1-[[6-(4-ethylphenoxy)-3-pyridyl]methyl]-5-oxo-pyrrolidin-3-yl]methyl] carbamothioate CAS Name: carbamothioic acid S-[[1-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]-5-oxo-3-pyrrolidinyl]methyl] ester IUPAC Name: S-[[1-[[6-(4-ethylphenoxy)pyridin-3-yl]methyl]-5-oxopyrrolidin-3-yl]methyl] carbamothioate Traditional Name: thiocarbamic acid S-[[1-[[6-(4-ethylphenoxy)-3-pyridyl]methyl]-5-keto-pyrrolidin-3-yl]methyl] ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-2-14-3-6-17(7-4-14)26-18-8-5-15(10-22-18)11-23-12-16(9-19(23)24)13-27-20(21)25/h3-8,10,16H,2,9,11-13H2,1H3,(H2,21,25)