2-[(3-fluoranyl-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-prop-2-enoxycarbonyl-amino]ethanoic acid

Systemtic Name: 2-[(3-fluoranyl-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-prop-2-enoxycarbonyl-amino]ethanoic acid Openeye Name: 2-[allyloxycarbonyl-(3-fluoro-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)amino]acetic acid CAS Name: 2-[(3-fluoro-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-[oxo(prop-2-enoxy)methyl]amino]acetic acid IUPAC Name: 2-[(3-fluoro-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-prop-2-enoxycarbonylamino]acetic acid Traditional Name: 2-[allyloxycarbonyl-(3-fluoro-4,5,6,7-tetrahydroisobenzothiophen-1-yl)amino]acetic acid Formula: C14H16FNO4S MolecularWeight: 313.344543

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N(CC(=O)O)C1=C2CCCCC2=C(S1)F

Isomeric SMILES

C=CCOC(=O)N(CC(=O)O)C1=C2CCCCC2=C(S1)F

InChI

InChI=1S/C14H16FNO4S/c1-2-7-20-14(19)16(8-11(17)18)13-10-6-4-3-5-9(10)12(15)21-13/h2H,1,3-8H2,(H,17,18)