3-chloranyl-N-[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl]benzothiophene-2-carboxamide Formula: C17H11ClFN3O4S MolecularWeight: 407.803343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H11ClFN3O4S/c18-15-10-3-1-2-4-13(10)27-16(15)17(24)20-8-14(23)21-9-5-6-11(19)12(7-9)22(25)26/h1-7H,8H2,(H,20,24)(H,21,23)