methyl 3-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoylamino]-5-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoylamino]-5-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[(4-bromo-2-fluoro-phenyl)methylcarbamoylamino]-5-chloro-benzothiophene-2-carboxylate CAS Name: 3-[[[(4-bromo-2-fluorophenyl)methylamino]-oxomethyl]amino]-5-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4-bromo-2-fluorophenyl)methylcarbamoylamino]-5-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-[(4-bromo-2-fluoro-benzyl)carbamoylamino]-5-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C18H13BrClFN2O3S MolecularWeight: 471.727823

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=CC(=C2)Cl)NC(=O)NCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=CC(=C2)Cl)NC(=O)NCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H13BrClFN2O3S/c1-26-17(24)16-15(12-7-11(20)4-5-14(12)27-16)23-18(25)22-8-9-2-3-10(19)6-13(9)21/h2-7H,8H2,1H3,(H2,22,23,25)