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

Systemtic Name: S-[2-aminocarbonyl-5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate Openeye Name: S-[2-carbamoyl-5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[2-carbamoyl-5-oxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl] ester IUPAC Name: S-[2-carbamoyl-5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[2-carbamoyl-5-keto-1-(4-phenoxybenzyl)pyrrolidin-3-yl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S/c1-13(23)27-17-11-18(24)22(19(17)20(21)25)12-14-7-9-16(10-8-14)26-15-5-3-2-4-6-15/h2-10,17,19H,11-12H2,1H3,(H2,21,25)