3-(4-fluorophenyl)-2-[(7-oxidanylidene-5,6-dihydro-4H-1-benzothiophen-3-yl)carbonylamino]propanoic acid

Systemtic Name: 3-(4-fluorophenyl)-2-[(7-oxidanylidene-5,6-dihydro-4H-1-benzothiophen-3-yl)carbonylamino]propanoic acid Openeye Name: 3-(4-fluorophenyl)-2-[(7-oxo-5,6-dihydro-4H-benzothiophene-3-carbonyl)amino]propanoic acid CAS Name: 3-(4-fluorophenyl)-2-[[oxo-(7-oxo-5,6-dihydro-4H-1-benzothiophen-3-yl)methyl]amino]propanoic acid IUPAC Name: 3-(4-fluorophenyl)-2-[(7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carbonyl)amino]propanoic acid Traditional Name: 3-(4-fluorophenyl)-2-[(7-keto-5,6-dihydro-4H-benzothiophene-3-carbonyl)amino]propionic acid Formula: C18H16FNO4S MolecularWeight: 361.387343

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)SC=C2C(=O)NC(CC3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

C1CC2=C(C(=O)C1)SC=C2C(=O)NC(CC3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C18H16FNO4S/c19-11-6-4-10(5-7-11)8-14(18(23)24)20-17(22)13-9-25-16-12(13)2-1-3-15(16)21/h4-7,9,14H,1-3,8H2,(H,20,22)(H,23,24)