N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[4-(4-acetamido-2-fluorophenyl)-2-thiazolyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-5-nitro-benzothiophene-2-carboxamide Formula: C20H13FN4O4S2 MolecularWeight: 456.470023

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])F

InChI

InChI=1S/C20H13FN4O4S2/c1-10(26)22-12-2-4-14(15(21)8-12)16-9-30-20(23-16)24-19(27)18-7-11-6-13(25(28)29)3-5-17(11)31-18/h2-9H,1H3,(H,22,26)(H,23,24,27)