N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-1-(2,5-dimethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-1-(2,5-dimethoxyphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-1-(2,5-dimethoxyphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-1-(2,5-dimethoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-1-(2,5-dimethoxyphenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C21H23N3O5S MolecularWeight: 429.48942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)NC3=CC=CC=C3SCC(=O)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)NC3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C21H23N3O5S/c1-28-14-7-8-17(29-2)16(10-14)24-11-13(9-20(24)26)21(27)23-15-5-3-4-6-18(15)30-12-19(22)25/h3-8,10,13H,9,11-12H2,1-2H3,(H2,22,25)(H,23,27)