3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-(4-fluorophenyl)propanoic acid

Systemtic Name: 3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-3-(4-fluorophenyl)propanoic acid Openeye Name: 3-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-(4-fluorophenyl)propanoic acid CAS Name: 3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-(4-fluorophenyl)propanoic acid IUPAC Name: 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-3-(4-fluorophenyl)propanoic acid Traditional Name: 3-[(3-chlorobenzothiophene-2-carbonyl)amino]-3-(4-fluorophenyl)propionic acid Formula: C18H13ClFNO3S MolecularWeight: 377.817123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(CC(=O)O)C3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C18H13ClFNO3S/c19-16-12-3-1-2-4-14(12)25-17(16)18(24)21-13(9-15(22)23)10-5-7-11(20)8-6-10/h1-8,13H,9H2,(H,21,24)(H,22,23)