propyl 2-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propyl 2-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 2-[(4-chloro-2-fluoro-phenyl)carbamoylamino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-chloro-2-fluoroanilino)-oxomethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[(4-chloro-2-fluorophenyl)carbamoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-chloro-2-fluoro-phenyl)carbamoylamino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C21H24ClFN2O3S MolecularWeight: 438.943263

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCC(C2)CC)NC(=O)NC3=C(C=C(C=C3)Cl)F

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCC(C2)CC)NC(=O)NC3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C21H24ClFN2O3S/c1-3-9-28-20(26)18-14-7-5-12(4-2)10-17(14)29-19(18)25-21(27)24-16-8-6-13(22)11-15(16)23/h6,8,11-12H,3-5,7,9-10H2,1-2H3,(H2,24,25,27)