ethyl 2-[aminocarbonyl-(4-fluorophenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[aminocarbonyl-(4-fluorophenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(N-carbamoyl-4-fluoro-anilino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(N-carbamoyl-4-fluoroanilino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(N-carbamoyl-4-fluoroanilino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(N-carbamoyl-4-fluoro-anilino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H19FN2O3S MolecularWeight: 362.418463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)N(C3=CC=C(C=C3)F)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)N(C3=CC=C(C=C3)F)C(=O)N

InChI

InChI=1S/C18H19FN2O3S/c1-2-24-17(22)15-13-5-3-4-6-14(13)25-16(15)21(18(20)23)12-9-7-11(19)8-10-12/h7-10H,2-6H2,1H3,(H2,20,23)