2-methoxy-5-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)methyl]benzoic acid Openeye Name: 2-methoxy-5-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)methyl]benzoic acid CAS Name: 2-methoxy-5-[[[oxo(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)methyl]benzoic acid Traditional Name: 2-methoxy-5-[(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)methyl]benzoic acid Formula: C19H21NO4S MolecularWeight: 359.43934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(S2)CCCCC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(S2)CCCCC3)C(=O)O

InChI

InChI=1S/C19H21NO4S/c1-24-15-8-7-12(9-14(15)19(22)23)11-20-18(21)17-10-13-5-3-2-4-6-16(13)25-17/h7-10H,2-6,11H2,1H3,(H,20,21)(H,22,23)