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

Systemtic Name: methyl 6-[(4-bromanyl-2-fluoranyl-phenyl)carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[(4-bromo-2-fluoro-phenyl)carbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[(4-bromo-2-fluoroanilino)-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[(4-bromo-2-fluorophenyl)carbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[(4-bromo-2-fluoro-phenyl)thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C17H11BrClFN2O2S2 MolecularWeight: 473.766843

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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)Br)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H11BrClFN2O2S2/c1-24-16(23)15-14(19)10-4-3-9(7-13(10)26-15)21-17(25)22-12-5-2-8(18)6-11(12)20/h2-7H,1H3,(H2,21,22,25)