2-methoxy-5-[(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)methyl]benzoic acid Openeye Name: 2-methoxy-5-[(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)methyl]benzoic acid CAS Name: 2-methoxy-5-[[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)methyl]benzoic acid Traditional Name: 2-methoxy-5-[(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)methyl]benzoic acid Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(S2)CCCC3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(S2)CCCC3)C(=O)O

InChI

InChI=1S/C18H19NO4S/c1-23-14-7-6-11(8-13(14)18(21)22)10-19-17(20)16-9-12-4-2-3-5-15(12)24-16/h6-9H,2-5,10H2,1H3,(H,19,20)(H,21,22)