3-(1-benzothiophen-3-yl)-2-(quinolin-6-ylsulfonylamino)propanoic acid

Systemtic Name: 3-(1-benzothiophen-3-yl)-2-(quinolin-6-ylsulfonylamino)propanoic acid Openeye Name: 3-(benzothiophen-3-yl)-2-(6-quinolylsulfonylamino)propanoic acid CAS Name: 3-(1-benzothiophen-3-yl)-2-(6-quinolinylsulfonylamino)propanoic acid IUPAC Name: 3-(1-benzothiophen-3-yl)-2-(quinolin-6-ylsulfonylamino)propanoic acid Traditional Name: 3-(benzothiophen-3-yl)-2-(6-quinolylsulfonylamino)propionic acid Formula: C20H16N2O4S2 MolecularWeight: 412.48204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)CC(C(=O)O)NS(=O)(=O)C3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)CC(C(=O)O)NS(=O)(=O)C3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C20H16N2O4S2/c23-20(24)18(11-14-12-27-19-6-2-1-5-16(14)19)22-28(25,26)15-7-8-17-13(10-15)4-3-9-21-17/h1-10,12,18,22H,11H2,(H,23,24)