methyl 4-[(4-fluoranyl-1,3-benzothiazol-2-yl)-(2-morpholin-4-ylethyl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(4-fluoranyl-1,3-benzothiazol-2-yl)-(2-morpholin-4-ylethyl)carbamoyl]benzoate Openeye Name: methyl 4-[(4-fluoro-1,3-benzothiazol-2-yl)-(2-morpholinoethyl)carbamoyl]benzoate CAS Name: 4-[[(4-fluoro-1,3-benzothiazol-2-yl)-[2-(4-morpholinyl)ethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-fluoro-1,3-benzothiazol-2-yl)-(2-morpholin-4-ylethyl)carbamoyl]benzoate Traditional Name: 4-[(4-fluoro-1,3-benzothiazol-2-yl)-(2-morpholinoethyl)carbamoyl]benzoic acid methyl ester Formula: C22H22FN3O4S MolecularWeight: 443.491183

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N(CCN2CCOCC2)C3=NC4=C(C=CC=C4S3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N(CCN2CCOCC2)C3=NC4=C(C=CC=C4S3)F

InChI

InChI=1S/C22H22FN3O4S/c1-29-21(28)16-7-5-15(6-8-16)20(27)26(10-9-25-11-13-30-14-12-25)22-24-19-17(23)3-2-4-18(19)31-22/h2-8H,9-14H2,1H3