5-oxidanylidene-5-[[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]pentanoate

Systemtic Name: 5-oxidanylidene-5-[[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]pentanoate Openeye Name: 5-oxo-5-[[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]pentanoate CAS Name: 5-oxo-5-[[3-[oxo-(3-pyridinylmethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]pentanoate IUPAC Name: 5-oxo-5-[[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]pentanoate Traditional Name: 5-keto-5-[[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]valerate Formula: C20H22N3O4S- MolecularWeight: 400.47138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCCC(=O)[O-])C(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCCC(=O)[O-])C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C20H23N3O4S/c24-16(8-3-9-17(25)26)23-20-18(14-6-1-2-7-15(14)28-20)19(27)22-12-13-5-4-10-21-11-13/h4-5,10-11H,1-3,6-9,12H2,(H,22,27)(H,23,24)(H,25,26)/p-1