ethyl 2-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-bromo-2-fluoro-phenyl)methylcarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(4-bromo-2-fluorophenyl)methylamino]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromo-2-fluorophenyl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-bromo-2-fluoro-benzyl)carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H20BrFN2O3S MolecularWeight: 455.341103

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C19H20BrFN2O3S/c1-2-26-18(24)16-13-5-3-4-6-15(13)27-17(16)23-19(25)22-10-11-7-8-12(20)9-14(11)21/h7-9H,2-6,10H2,1H3,(H2,22,23,25)