3-[2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyloxy)propanoylamino]benzoic acid

Systemtic Name: 3-[2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyloxy)propanoylamino]benzoic acid Openeye Name: 3-[2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyloxy)propanoylamino]benzoic acid CAS Name: 3-[[1-oxo-2-[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methoxy]propyl]amino]benzoic acid IUPAC Name: 3-[2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyloxy)propanoylamino]benzoic acid Traditional Name: 3-[2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyloxy)propanoylamino]benzoic acid Formula: C19H19NO5S MolecularWeight: 373.42286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)OC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C19H19NO5S/c1-11(17(21)20-14-7-4-6-13(9-14)18(22)23)25-19(24)16-10-12-5-2-3-8-15(12)26-16/h4,6-7,9-11H,2-3,5,8H2,1H3,(H,20,21)(H,22,23)