[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]-3-sulfanyl-pyrrolidin-2-yl]methyl N-propylcarbamate

Systemtic Name: [5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]-3-sulfanyl-pyrrolidin-2-yl]methyl N-propylcarbamate Openeye Name: [5-oxo-1-[(4-phenoxyphenyl)methyl]-3-sulfanyl-pyrrolidin-2-yl]methyl N-propylcarbamate CAS Name: N-propylcarbamic acid [3-mercapto-5-oxo-1-[(4-phenoxyphenyl)methyl]-2-pyrrolidinyl]methyl ester IUPAC Name: [5-oxo-1-[(4-phenoxyphenyl)methyl]-3-sulfanylpyrrolidin-2-yl]methyl N-propylcarbamate Traditional Name: N-propylcarbamic acid [5-keto-3-mercapto-1-(4-phenoxybenzyl)pyrrolidin-2-yl]methyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)OCC1C(CC(=O)N1CC2=CC=C(C=C2)OC3=CC=CC=C3)S

Isomeric SMILES

CCCNC(=O)OCC1C(CC(=O)N1CC2=CC=C(C=C2)OC3=CC=CC=C3)S

InChI

InChI=1S/C22H26N2O4S/c1-2-12-23-22(26)27-15-19-20(29)13-21(25)24(19)14-16-8-10-18(11-9-16)28-17-6-4-3-5-7-17/h3-11,19-20,29H,2,12-15H2,1H3,(H,23,26)