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

Systemtic Name: methyl 6-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[(2-bromo-4,6-difluoro-phenyl)carbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[(2-bromo-4,6-difluoroanilino)-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[(2-bromo-4,6-difluorophenyl)carbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[(2-bromo-4,6-difluoro-phenyl)thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C17H10BrClF2N2O2S2 MolecularWeight: 491.757306

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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=C3Br)F)F)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=C(C=C(C=C3Br)F)F)Cl

InChI

InChI=1S/C17H10BrClF2N2O2S2/c1-25-16(24)15-13(19)9-3-2-8(6-12(9)27-15)22-17(26)23-14-10(18)4-7(20)5-11(14)21/h2-6H,1H3,(H2,22,23,26)