methyl 6-[[2,5-bis(fluoranyl)phenyl]carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[[2,5-bis(fluoranyl)phenyl]carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(2,5-difluorophenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(2,5-difluoroanilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(2,5-difluorophenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(2,5-difluorophenyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C17H11ClF2N2O2S2 MolecularWeight: 412.861246

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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=CC(=C3)F)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClF2N2O2S2/c1-24-16(23)15-14(18)10-4-3-9(7-13(10)26-15)21-17(25)22-12-6-8(19)2-5-11(12)20/h2-7H,1H3,(H2,21,22,25)