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

Systemtic Name: 5-[[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[(5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[(5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]methyl]-2-methoxy-benzoic acid Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

Isomeric SMILES

CCC1CCC2=C(C1)C=C(S2)C(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C20H23NO4S/c1-3-12-5-7-17-14(8-12)10-18(26-17)19(22)21-11-13-4-6-16(25-2)15(9-13)20(23)24/h4,6,9-10,12H,3,5,7-8,11H2,1-2H3,(H,21,22)(H,23,24)