5-(azepan-1-yl)-4-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 5-(azepan-1-yl)-4-phenyl-thiophene-2-carboxylic acid Openeye Name: 5-(azepan-1-yl)-4-phenyl-thiophene-2-carboxylic acid CAS Name: 5-(1-azepanyl)-4-phenyl-2-thiophenecarboxylic acid IUPAC Name: 5-(azepan-1-yl)-4-phenylthiophene-2-carboxylic acid Traditional Name: 5-(azepan-1-yl)-4-phenyl-2-thenoic acid Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(S2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(S2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C17H19NO2S/c19-17(20)15-12-14(13-8-4-3-5-9-13)16(21-15)18-10-6-1-2-7-11-18/h3-5,8-9,12H,1-2,6-7,10-11H2,(H,19,20)