S-[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] N-ethylcarbamothioate

Systemtic Name: S-[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] N-ethylcarbamothioate Openeye Name: S-[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] N-ethylcarbamothioate CAS Name: N-ethylcarbamothioic acid S-[[5-oxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl]] ester IUPAC Name: S-[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] N-ethylcarbamothioate Traditional Name: N-ethylthiocarbamic acid S-[5-keto-1-(4-phenoxybenzyl)pyrrolidin-3-yl] ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)SC1CC(=O)N(C1)CC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCNC(=O)SC1CC(=O)N(C1)CC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3S/c1-2-21-20(24)26-18-12-19(23)22(14-18)13-15-8-10-17(11-9-15)25-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3,(H,21,24)