N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[4-[4-(2-acetamidoethyl)phenyl]thiazol-2-yl]-3-chloro-6-fluoro-benzothiophene-2-carboxamide CAS Name: N-[4-[4-(2-acetamidoethyl)phenyl]-2-thiazolyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-[4-(2-acetamidoethyl)phenyl]thiazol-2-yl]-3-chloro-6-fluoro-benzothiophene-2-carboxamide Formula: C22H17ClFN3O2S2 MolecularWeight: 473.970683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C22H17ClFN3O2S2/c1-12(28)25-9-8-13-2-4-14(5-3-13)17-11-30-22(26-17)27-21(29)20-19(23)16-7-6-15(24)10-18(16)31-20/h2-7,10-11H,8-9H2,1H3,(H,25,28)(H,26,27,29)