N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-keto-pyrrolidine-3-carboxamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NC4=CC=CC=C4SCC(=O)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3CC(CC3=O)C(=O)NC4=CC=CC=C4SCC(=O)N

InChI

InChI=1S/C21H21N3O5S/c22-19(25)12-30-18-4-2-1-3-15(18)23-21(27)13-9-20(26)24(11-13)14-5-6-16-17(10-14)29-8-7-28-16/h1-6,10,13H,7-9,11-12H2,(H2,22,25)(H,23,27)