methyl 2-[(4-fluoranyl-3-methyl-1-benzothiophen-2-yl)carbonylamino]-5-morpholin-4-yl-benzoate

Systemtic Name: methyl 2-[(4-fluoranyl-3-methyl-1-benzothiophen-2-yl)carbonylamino]-5-morpholin-4-yl-benzoate Openeye Name: methyl 2-[(4-fluoro-3-methyl-benzothiophene-2-carbonyl)amino]-5-morpholino-benzoate CAS Name: 2-[[(4-fluoro-3-methyl-1-benzothiophen-2-yl)-oxomethyl]amino]-5-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 2-[(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)amino]-5-morpholin-4-ylbenzoate Traditional Name: 2-[(4-fluoro-3-methyl-benzothiophene-2-carbonyl)amino]-5-morpholino-benzoic acid methyl ester Formula: C22H21FN2O4S MolecularWeight: 428.476543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)NC3=C(C=C(C=C3)N4CCOCC4)C(=O)OC

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)NC3=C(C=C(C=C3)N4CCOCC4)C(=O)OC

InChI

InChI=1S/C22H21FN2O4S/c1-13-19-16(23)4-3-5-18(19)30-20(13)21(26)24-17-7-6-14(12-15(17)22(27)28-2)25-8-10-29-11-9-25/h3-7,12H,8-11H2,1-2H3,(H,24,26)