methyl 3-chloranyl-6-[(3-fluorophenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(3-fluorophenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(3-fluorophenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(3-fluoroanilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(3-fluorophenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(3-fluorophenyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C17H12ClFN2O2S2 MolecularWeight: 394.870783

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC(=CC=C3)F)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC(=CC=C3)F)Cl

InChI

InChI=1S/C17H12ClFN2O2S2/c1-23-16(22)15-14(18)12-6-5-11(8-13(12)25-15)21-17(24)20-10-4-2-3-9(19)7-10/h2-8H,1H3,(H2,20,21,24)