methyl 3-chloranyl-6-[(4-fluoranyl-2-nitro-phenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(4-fluoranyl-2-nitro-phenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(4-fluoro-2-nitro-phenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(4-fluoro-2-nitroanilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4-fluoro-2-nitrophenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(4-fluoro-2-nitro-phenyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C17H11ClFN3O4S2 MolecularWeight: 439.868343

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=C(C=C(C=C3)F)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=C(C=C(C=C3)F)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H11ClFN3O4S2/c1-26-16(23)15-14(18)10-4-3-9(7-13(10)28-15)20-17(27)21-11-5-2-8(19)6-12(11)22(24)25/h2-7H,1H3,(H2,20,21,27)