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

Systemtic Name: 4-oxidanylidene-4-[[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]butanoic acid Openeye Name: 4-oxo-4-[[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]butanoic acid CAS Name: 4-oxo-4-[[3-[oxo-(3-pyridinylmethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]butanoic acid IUPAC Name: 4-oxo-4-[[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]butanoic acid Traditional Name: 4-keto-4-[[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]butyric acid Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCC(=O)O)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCC(=O)O)C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C19H21N3O4S/c23-15(7-8-16(24)25)22-19-17(13-5-1-2-6-14(13)27-19)18(26)21-11-12-4-3-9-20-10-12/h3-4,9-10H,1-2,5-8,11H2,(H,21,26)(H,22,23)(H,24,25)