methyl 5-[2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoylamino]-2-fluoranyl-benzoate

Systemtic Name: methyl 5-[2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]ethanoylamino]-2-fluoranyl-benzoate Openeye Name: methyl 5-[[2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetyl]amino]-2-fluoro-benzoate CAS Name: 5-[[2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-1-oxoethyl]amino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-[[2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetyl]amino]-2-fluorobenzoate Traditional Name: 5-[[2-[(5-chloro-1,3-benzoxazol-2-yl)thio]acetyl]amino]-2-fluoro-benzoic acid methyl ester Formula: C17H12ClFN2O4S MolecularWeight: 394.804583

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NC3=C(O2)C=CC(=C3)Cl)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NC3=C(O2)C=CC(=C3)Cl)F

InChI

InChI=1S/C17H12ClFN2O4S/c1-24-16(23)11-7-10(3-4-12(11)19)20-15(22)8-26-17-21-13-6-9(18)2-5-14(13)25-17/h2-7H,8H2,1H3,(H,20,22)