2-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[(3-fluorobenzyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C16H16FNO2S MolecularWeight: 305.367143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NCC3=CC(=CC=C3)F)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NCC3=CC(=CC=C3)F)C(=O)O

InChI

InChI=1S/C16H16FNO2S/c17-11-5-3-4-10(8-11)9-18-15-14(16(19)20)12-6-1-2-7-13(12)21-15/h3-5,8,18H,1-2,6-7,9H2,(H,19,20)