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

Systemtic Name: S-[2-(2-hydroxyethylcarbamoyl)-5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate Openeye Name: S-[2-(2-hydroxyethylcarbamoyl)-5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[2-[(2-hydroxyethylamino)-oxomethyl]-5-oxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl] ester IUPAC Name: S-[2-(2-hydroxyethylcarbamoyl)-5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[2-(2-hydroxyethylcarbamoyl)-5-keto-1-(4-phenoxybenzyl)pyrrolidin-3-yl] ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(=O)N(C1C(=O)NCCO)CC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(=O)SC1CC(=O)N(C1C(=O)NCCO)CC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O5S/c1-15(26)30-19-13-20(27)24(21(19)22(28)23-11-12-25)14-16-7-9-18(10-8-16)29-17-5-3-2-4-6-17/h2-10,19,21,25H,11-14H2,1H3,(H,23,28)