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

Systemtic Name: methyl 3-chloranyl-6-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-nitro-2-(trifluoromethyl)anilino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-nitro-2-(trifluoromethyl)phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-nitro-2-(trifluoromethyl)phenyl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H11ClF3N3O4S2 MolecularWeight: 489.87585

Click to see the large picture

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)[N+](=O)[O-])C(F)(F)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H11ClF3N3O4S2/c1-29-16(26)15-14(19)10-4-2-8(6-13(10)31-15)23-17(30)24-12-5-3-9(25(27)28)7-11(12)18(20,21)22/h2-7H,1H3,(H2,23,24,30)