2-[2-[3-(2-oxidanylidenepyrrolidin-1-yl)phenoxy]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-[3-(2-oxidanylidenepyrrolidin-1-yl)phenoxy]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-[3-(2-oxo-1-pyrrolidinyl)phenoxy]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[3-(2-ketopyrrolidino)phenoxy]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=CC=CC(=C3)N4CCCC4=O)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=CC=CC(=C3)N4CCCC4=O)C(=O)N

InChI

InChI=1S/C21H23N3O4S/c22-20(27)19-15-7-1-2-8-16(15)29-21(19)23-17(25)12-28-14-6-3-5-13(11-14)24-10-4-9-18(24)26/h3,5-6,11H,1-2,4,7-10,12H2,(H2,22,27)(H,23,25)