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

Systemtic Name: methyl 4-[(4-fluoranyl-1,3-benzothiazol-2-yl)-(3-morpholin-4-ylpropyl)carbamoyl]benzoate Openeye Name: methyl 4-[(4-fluoro-1,3-benzothiazol-2-yl)-(3-morpholinopropyl)carbamoyl]benzoate CAS Name: 4-[[(4-fluoro-1,3-benzothiazol-2-yl)-[3-(4-morpholinyl)propyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-fluoro-1,3-benzothiazol-2-yl)-(3-morpholin-4-ylpropyl)carbamoyl]benzoate Traditional Name: 4-[(4-fluoro-1,3-benzothiazol-2-yl)-(3-morpholinopropyl)carbamoyl]benzoic acid methyl ester Formula: C23H24FN3O4S MolecularWeight: 457.517763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N(CCCN2CCOCC2)C3=NC4=C(C=CC=C4S3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N(CCCN2CCOCC2)C3=NC4=C(C=CC=C4S3)F

InChI

InChI=1S/C23H24FN3O4S/c1-30-22(29)17-8-6-16(7-9-17)21(28)27(11-3-10-26-12-14-31-15-13-26)23-25-20-18(24)4-2-5-19(20)32-23/h2,4-9H,3,10-15H2,1H3