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

Systemtic Name: ethyl 2-[(4-chloranyl-2-fluoranyl-phenyl)carbamoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H22ClFN2O3S MolecularWeight: 424.916683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)NC3=C(C=C(C=C3)Cl)F

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)NC3=C(C=C(C=C3)Cl)F

InChI

InChI=1S/C20H22ClFN2O3S/c1-3-11-5-7-13-16(9-11)28-18(17(13)19(25)27-4-2)24-20(26)23-15-8-6-12(21)10-14(15)22/h6,8,10-11H,3-5,7,9H2,1-2H3,(H2,23,24,26)