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

Systemtic Name: 4-oxidanylidene-4-[[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]butanoate Openeye Name: 4-oxo-4-[[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]butanoate CAS Name: 4-oxo-4-[[3-[oxo-(3-pyridinylmethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]butanoate IUPAC Name: 4-oxo-4-[[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]butanoate Traditional Name: 4-keto-4-[[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]butyrate Formula: C19H20N3O4S- MolecularWeight: 386.4448

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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)/p-1