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

Systemtic Name: 4-chloranyl-3-[2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonyloxy)butanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyloxy)butanoylamino]benzoic acid CAS Name: 4-chloro-3-[[1-oxo-2-[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methoxy]butyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyloxy)butanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonyloxy)butanoylamino]benzoic acid Formula: C20H20ClNO5S MolecularWeight: 421.8945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO5S/c1-2-15(18(23)22-14-9-12(19(24)25)7-8-13(14)21)27-20(26)17-10-11-5-3-4-6-16(11)28-17/h7-10,15H,2-6H2,1H3,(H,22,23)(H,24,25)