3-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid

Systemtic Name: 3-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid Openeye Name: 3-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid CAS Name: 3-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid IUPAC Name: 3-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid Traditional Name: 3-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-(4-fluorophenyl)propionic acid Formula: C18H15ClFNO4S2 MolecularWeight: 427.897403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC(CC(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC(CC(=O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H15ClFNO4S2/c1-10-14-8-12(19)4-7-16(14)26-18(10)27(24,25)21-15(9-17(22)23)11-2-5-13(20)6-3-11/h2-8,15,21H,9H2,1H3,(H,22,23)